2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide

C28H29N7O — CID 170131766

IUPAC2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1nc2nc(C(c3ccccc3)c3ccccc3)n(CC)c2cc1C(=O)Nc1ncn(CC)n1
InChIInChI=1S/C28H29N7O/c1-4-22-21(27(36)32-28-29-18-34(5-2)33-28)17-23-25(30-22)31-26(35(23)6-3)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,24H,4-6H2,1-3H3,(H,32,33,36)
InChIKeyZPDNYZRKBPMPAY-UHFFFAOYSA-N
MW479.59 g/mol
LogP5.06
Rot. Bonds8

About 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide

2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 170131766) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID170131766
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1nc2nc(C(c3ccccc3)c3ccccc3)n(CC)c2cc1C(=O)Nc1ncn(CC)n1
InChIInChI=1S/C28H29N7O/c1-4-22-21(27(36)32-28-29-18-34(5-2)33-28)17-23-25(30-22)31-26(35(23)6-3)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,24H,4-6H2,1-3H3,(H,32,33,36)
InChIKeyZPDNYZRKBPMPAY-UHFFFAOYSA-N
XLogP5.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]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 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 170131766) is 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide is CCc1nc2nc(C(c3ccccc3)c3ccccc3)n(CC)c2cc1C(=O)Nc1ncn(CC)n1.
What is the InChIKey of 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZPDNYZRKBPMPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-4-22-21(27(36)32-28-29-18-34(5-2)33-28)17-23-25(30-22)31-26(35(23)6-3)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,24H,4-6H2,1-3H3,(H,32,33,36).
What are the key properties of 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 170131766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).