N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide

C21H17ClN4O2 — CID 155231212

IUPACN-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NC2[C@H]3CC(O)(c4cc(Cl)cn5cncc45)C[C@@H]23)c1
InChIInChI=1S/C21H17ClN4O2/c22-14-5-17(18-9-24-11-26(18)10-14)21(28)6-15-16(7-21)19(15)25-20(27)13-3-1-2-12(4-13)8-23/h1-5,9-11,15-16,19,28H,6-7H2,(H,25,27)/t15-,16+,19?,21?
InChIKeyVNGCMILFTWQMLD-ZSTWNITKSA-N
MW392.85 g/mol
LogP2.89
Rot. Bonds3

About N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide

N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide (PubChem CID 155231212) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide
PubChem CID155231212
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NC2[C@H]3CC(O)(c4cc(Cl)cn5cncc45)C[C@@H]23)c1
InChIInChI=1S/C21H17ClN4O2/c22-14-5-17(18-9-24-11-26(18)10-14)21(28)6-15-16(7-21)19(15)25-20(27)13-3-1-2-12(4-13)8-23/h1-5,9-11,15-16,19,28H,6-7H2,(H,25,27)/t15-,16+,19?,21?
InChIKeyVNGCMILFTWQMLD-ZSTWNITKSA-N
XLogP2.89
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide with MolForge

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Related Compounds

N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide
CID 138580525
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870
3-cyano-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 11508482
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide?
The IUPAC name of N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide (CID 155231212) is N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide.
What is the SMILES notation for N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide?
The canonical SMILES for N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)NC2[C@H]3CC(O)(c4cc(Cl)cn5cncc45)C[C@@H]23)c1.
What is the InChIKey of N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide?
The InChIKey is VNGCMILFTWQMLD-ZSTWNITKSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-14-5-17(18-9-24-11-26(18)10-14)21(28)6-15-16(7-21)19(15)25-20(27)13-3-1-2-12(4-13)8-23/h1-5,9-11,15-16,19,28H,6-7H2,(H,25,27)/t15-,16+,19?,21?.
What are the key properties of N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide?
N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide has a molecular weight of 392.85 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(6-chloroimidazo[1,5-a]pyridin-8-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-cyanobenzamide is sourced from PubChem (CID 155231212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).