tert-Butyl 4-(3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-7-yl)piperidine-1-carboxylate

HCID 136983686
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基本情報

CAS
1633350-03-4
標準SMILES
CC(C)(C)OC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1
InChIKey
HAHIDLAHHBZYHZ-UHFFFAOYSA-N
分子式
C29H35N5O4
平均分子量
517.6 g/mol

名称と識別子

優先名称
tert-Butyl 4-(3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-7-yl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[3-carbamoyl-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

名称と別名

PNF3XEA9TH1633350-03-4tert-Butyl 4-(3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-7-yl)piperidine-1-carboxylatetert-Butyl 4-[3-carbamoyl-2-(4-phenoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylateRefChem:1099543tert-Butyl 4-(3-carbamoyl-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate7-(1-(Tert-butoxycarbonyl)piperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide7-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamidestarbld0002103CHEMBL3940305SCHEMBL16208537HAHIDLAHHBZYHZ-UHFFFAOYSA-N
名称をさらに表示
BDBM249898US9447106, 251,1-Dimethylethyl 4-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-, 1,1-dimethylethyl ester

データベース識別子

CAS
1633350-03-4
PubChem CID
136983686
ChEMBL
CHEMBL3940305
UNII
PNF3XEA9TH

物性

構造計算による物性

XLogP
4.3
極性表面積
112 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
7
重原子数
38

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