5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamide
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基本情報
- CAS
1361232-73-6- 標準SMILES
NC(=O)c1nn(Cc2ccccc2F)c2ncc(F)cc12- InChIKey
PFVRWSTVUQUXKP-UHFFFAOYSA-N- 分子式
- C14H10F2N4O
- 平均分子量
- 288.25 g/mol
- 単同位体質量
- 288.08226728
名称と識別子
- 優先名称
- 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamide
- IUPAC
- 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
- 英語名
- 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
- 分子式
- C14H10F2N4O
- 分子量
- 288.25
名称と別名
5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide5-Fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamide5-Fluoro-1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamideRefChem:535658811-886-01361232-73-6Vericiguat Impurity 151H-Pyrazolo[3,4-b]pyridine-3-carboxamide, 5-fluoro-1-[(2-fluorophenyl)methyl]-5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboxamideSCHEMBL174635PFVRWSTVUQUXKP-UHFFFAOYSA-N
名称をさらに表示
Vericiguat Impurity 135-fluoro-1-(3-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrileVericiguat Impurity 07Vericiguat Impurity 03Vericiguat Impurity 27/5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
DTXSID20114120962883U75FC
データベース識別子
- CAS
1361232-73-6- PubChem CID
- 56849009
- DTXSID
DTXSID201141209- UNII
- 62883U75FC
- EC Number
- 811-886-0
物性
構造計算による物性補完中
- XLogP
- 1.8
- 極性表面積
- 73.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 397
物理化学的性質
- 沸点
- 377.7 ℃ · 377.7℃ at 101.3kPa
- 比重(密度)
- 1.488 at · 1.488 at 20℃
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 酸解離定数(Pka)
- 14.39 · 14.39±0.30(Predicted)
- LogP
- 1.57 at · 1.57 at 20℃ and pH6.5
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 6 of 6 reports by companies.；There are 0 notifications provided by 0 of 6 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory InformationStatus: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33660
Hazard Classes and CategoriesNot Classified
法規制情報
Regulatory InformationStatus: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33660
関連反応
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化合物ノート
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