1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride

HCID 22293181CAS 781649-84-1

基本情報

標準SMILES
Cl.Cl.O=c1[nH]c2ncccc2n1C1CCNCC1
InChIKey
OHUCGNJZMRINKX-UHFFFAOYSA-N
分子式
C11H16Cl2N4O
平均分子量
291.17 g/mol
単同位体質量
290.07011649

概要

See other relationships...

名称と識別子

優先名称
1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride
IUPAC
1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

名称と別名

1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride1-piperidin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one dihydrochloride1-(piperidin-4-yl)-1H,2H,3H-imidazo(4,5-b)pyridin-2-one dihydrochloride1-Piperidin-4-yl-1,3-dihydroimidazo(4,5-b)pyridin-2-one dihydrochlorideRefChem:428316937-843-7781649-84-11-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one dihydrochloride1-piperidin-4-yl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one dihydrochlorideMFCD147051731-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride2-Oxo-1-(4-piperidinyl)-2,3-dihydro-1H-imidazo[4,5-b]pyridine dihydrochloride
名称をさらに表示
1-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one (Hydrochloride)OHUCGNJZMRINKX-UHFFFAOYSA-N1,3-Dihydro-1-(4-piperidinyl)-2H-imidazo[4,5-b]pyridin-2-one DihydrochlorideRimegepant Impurity 2 DiHClSCHEMBL438908orb3143748CHEMBL3498426SCHEMBL30007314

データベース識別子

CAS
781649-84-1
PubChem CID
22293181
DTXSID
DTXSID80624480
ChEMBL
CHEMBL3498426
EC Number
937-843-7

物性

構造計算による物性

極性表面積
57.3 Ų
水素結合供与体数
4
水素結合受容体数
3
回転可能結合数
1
重原子数
18

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

関連反応

145 件

関連ノート

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