N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

C35H47N5O2 — CID 23822540

IUPACN-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)c1ccc(Cn2cnc3c2CN(C(=O)c2ccc(C(C)(C)C)cc2)C(C(=O)NC2CCC(N)CC2)C3)cc1
InChIInChI=1S/C35H47N5O2/c1-34(2,3)25-11-7-23(8-12-25)20-39-22-37-29-19-30(32(41)38-28-17-15-27(36)16-18-28)40(21-31(29)39)33(42)24-9-13-26(14-10-24)35(4,5)6/h7-14,22,27-28,30H,15-21,36H2,1-6H3,(H,38,41)
InChIKeyVEKJUMDBMTTZOK-UHFFFAOYSA-N
MW569.79 g/mol
LogP5.48
Rot. Bonds5

About N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 23822540) has the molecular formula C35H47N5O2 and a molecular weight of 569.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID23822540
Molecular FormulaC35H47N5O2
Molecular Weight569.79 g/mol
Exact Mass569.37
IUPAC NameN-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)c1ccc(Cn2cnc3c2CN(C(=O)c2ccc(C(C)(C)C)cc2)C(C(=O)NC2CCC(N)CC2)C3)cc1
InChIInChI=1S/C35H47N5O2/c1-34(2,3)25-11-7-23(8-12-25)20-39-22-37-29-19-30(32(41)38-28-17-15-27(36)16-18-28)40(21-31(29)39)33(42)24-9-13-26(14-10-24)35(4,5)6/h7-14,22,27-28,30H,15-21,36H2,1-6H3,(H,38,41)
InChIKeyVEKJUMDBMTTZOK-UHFFFAOYSA-N
XLogP5.48
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (CID 23822540) is N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is CC(C)(C)c1ccc(Cn2cnc3c2CN(C(=O)c2ccc(C(C)(C)C)cc2)C(C(=O)NC2CCC(N)CC2)C3)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is VEKJUMDBMTTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N5O2/c1-34(2,3)25-11-7-23(8-12-25)20-39-22-37-29-19-30(32(41)38-28-17-15-27(36)16-18-28)40(21-31(29)39)33(42)24-9-13-26(14-10-24)35(4,5)6/h7-14,22,27-28,30H,15-21,36H2,1-6H3,(H,38,41).
What are the key properties of N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 569.79 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-(4-tert-butylbenzoyl)-3-[(4-tert-butylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 23822540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).