N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide

C27H26FN5O2 — CID 71131023

IUPACN-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2cn1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN5O2/c28-20-11-7-19(8-12-20)27(35)33-24-15-22-23(16-29-24)32-25(31-22)17-9-13-21(14-10-17)30-26(34)18-5-3-1-2-4-6-18/h7-16,18H,1-6H2,(H,30,34)(H,31,32)(H,29,33,35)
InChIKeyMMIOYGBLCGOZKW-UHFFFAOYSA-N
MW471.54 g/mol
LogP5.93
Rot. Bonds5

About N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide

N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide (PubChem CID 71131023) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
PubChem CID71131023
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC NameN-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2cn1)c1ccc(F)cc1
InChIInChI=1S/C27H26FN5O2/c28-20-11-7-19(8-12-20)27(35)33-24-15-22-23(16-29-24)32-25(31-22)17-9-13-21(14-10-17)30-26(34)18-5-3-1-2-4-6-18/h7-16,18H,1-6H2,(H,30,34)(H,31,32)(H,29,33,35)
InChIKeyMMIOYGBLCGOZKW-UHFFFAOYSA-N
XLogP5.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
CID 143611711
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-[4-[6-[2-(cyclobutylmethyl)but-3-enoylamino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 89299444
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 160535939
2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 161005892

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide (CID 71131023) is N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide is O=C(Nc1cc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2cn1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
The InChIKey is MMIOYGBLCGOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c28-20-11-7-19(8-12-20)27(35)33-24-15-22-23(16-29-24)32-25(31-22)17-9-13-21(14-10-17)30-26(34)18-5-3-1-2-4-6-18/h7-16,18H,1-6H2,(H,30,34)(H,31,32)(H,29,33,35).
What are the key properties of N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide has a molecular weight of 471.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 71131023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).