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

C33H35N5O2 — CID 143611711

IUPACN-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2cn1)c1ccc(C2CC2)c(C2CC2)c1
InChIInChI=1S/C33H35N5O2/c39-32(23-5-3-1-2-4-6-23)35-25-14-11-22(12-15-25)31-36-28-18-30(34-19-29(28)37-31)38-33(40)24-13-16-26(20-7-8-20)27(17-24)21-9-10-21/h11-21,23H,1-10H2,(H,35,39)(H,36,37)(H,34,38,40)
InChIKeyAYORPYZJKDPGSU-UHFFFAOYSA-N
MW533.68 g/mol
LogP7.54
Rot. Bonds7

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

N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide (PubChem CID 143611711) has the molecular formula C33H35N5O2 and a molecular weight of 533.68 g/mol. Its IUPAC name is N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
PubChem CID143611711
Molecular FormulaC33H35N5O2
Molecular Weight533.68 g/mol
Exact Mass533.28
IUPAC NameN-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2cn1)c1ccc(C2CC2)c(C2CC2)c1
InChIInChI=1S/C33H35N5O2/c39-32(23-5-3-1-2-4-6-23)35-25-14-11-22(12-15-25)31-36-28-18-30(34-19-29(28)37-31)38-33(40)24-13-16-26(20-7-8-20)27(17-24)21-9-10-21/h11-21,23H,1-10H2,(H,35,39)(H,36,37)(H,34,38,40)
InChIKeyAYORPYZJKDPGSU-UHFFFAOYSA-N
XLogP7.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 57.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
CID 71131023
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-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
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
[1-methyl-4-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]cyclohexyl] acetate
CID 11295210
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide (CID 143611711) is N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide is O=C(Nc1cc2nc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]c2cn1)c1ccc(C2CC2)c(C2CC2)c1.
What is the InChIKey of N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
The InChIKey is AYORPYZJKDPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O2/c39-32(23-5-3-1-2-4-6-23)35-25-14-11-22(12-15-25)31-36-28-18-30(34-19-29(28)37-31)38-33(40)24-13-16-26(20-7-8-20)27(17-24)21-9-10-21/h11-21,23H,1-10H2,(H,35,39)(H,36,37)(H,34,38,40).
What are the key properties of N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide?
N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide has a molecular weight of 533.68 g/mol, XLogP of 7.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(3,4-dicyclopropylbenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 143611711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).