4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

C22H23ClN4O — CID 153288976

IUPAC4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cnccc43)C[C@@H]12
InChIInChI=1S/C22H23ClN4O/c1-2-18(26-22(28)13-3-5-14(23)6-4-13)21-16-9-15(10-17(16)21)27-12-25-19-11-24-8-7-20(19)27/h3-8,11-12,15-18,21H,2,9-10H2,1H3,(H,26,28)/t15?,16-,17+,18?,21?
InChIKeyXPWLJXVUAOISOS-WHWMZARZSA-N
MW394.91 g/mol
LogP4.49
Rot. Bonds5

About 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (PubChem CID 153288976) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
PubChem CID153288976
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cnccc43)C[C@@H]12
InChIInChI=1S/C22H23ClN4O/c1-2-18(26-22(28)13-3-5-14(23)6-4-13)21-16-9-15(10-17(16)21)27-12-25-19-11-24-8-7-20(19)27/h3-8,11-12,15-18,21H,2,9-10H2,1H3,(H,26,28)/t15?,16-,17+,18?,21?
InChIKeyXPWLJXVUAOISOS-WHWMZARZSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide with MolForge

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Related Compounds

Diphenyl purine derivative 2
CID 72713199
Thz531
CID 118025540
3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
CID 25110759
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132174
1-[(2,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132175
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 44448747
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzamide
CID 71455551
2-[8-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10738832
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide
CID 948801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (CID 153288976) is 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1[C@H]2CC(n3cnc4cnccc43)C[C@@H]12.
What is the InChIKey of 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The InChIKey is XPWLJXVUAOISOS-WHWMZARZSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-2-18(26-22(28)13-3-5-14(23)6-4-13)21-16-9-15(10-17(16)21)27-12-25-19-11-24-8-7-20(19)27/h3-8,11-12,15-18,21H,2,9-10H2,1H3,(H,26,28)/t15?,16-,17+,18?,21?.
What are the key properties of 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide has a molecular weight of 394.91 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(1S,5R)-3-imidazo[4,5-c]pyridin-1-yl-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is sourced from PubChem (CID 153288976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).