2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide

C28H28N6O2 — CID 170130382

IUPAC2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(c2ccccc2)c2ccccc2)nc2cc(OC)c(C(=O)Nc3ncn(CC)n3)cn12
InChIInChI=1S/C28H28N6O2/c1-4-22-26(25(19-12-8-6-9-13-19)20-14-10-7-11-15-20)30-24-16-23(36-3)21(17-34(22)24)27(35)31-28-29-18-33(5-2)32-28/h6-18,25H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyCIBWDZBAESOMGW-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.95
Rot. Bonds8

About 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide

2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 170130382) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID170130382
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(c2ccccc2)c2ccccc2)nc2cc(OC)c(C(=O)Nc3ncn(CC)n3)cn12
InChIInChI=1S/C28H28N6O2/c1-4-22-26(25(19-12-8-6-9-13-19)20-14-10-7-11-15-20)30-24-16-23(36-3)21(17-34(22)24)27(35)31-28-29-18-33(5-2)32-28/h6-18,25H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyCIBWDZBAESOMGW-UHFFFAOYSA-N
XLogP4.95
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 170130662
2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 170130547
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 168678814
benzyl 2-[[7-chloro-3-ethyl-6-[(1-ethyl-1,2,4-triazol-3-yl)carbamoyl]imidazo[1,2-a]pyridin-2-yl]-hydroxy-(2-methylphenyl)methyl]benzoate
CID 170130764
2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 170131766
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-(2-methylphenyl)-phenylmethyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 156855038
N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 168678827
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 168678823
2-[3-[(2-propan-2-yloxybenzoyl)amino]-1,2,4-triazol-1-yl]acetic acid
CID 167773775
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511597
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511596

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide (CID 170130382) is 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide is CCc1c(C(c2ccccc2)c2ccccc2)nc2cc(OC)c(C(=O)Nc3ncn(CC)n3)cn12.
What is the InChIKey of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CIBWDZBAESOMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-4-22-26(25(19-12-8-6-9-13-19)20-14-10-7-11-15-20)30-24-16-23(36-3)21(17-34(22)24)27(35)31-28-29-18-33(5-2)32-28/h6-18,25H,4-5H2,1-3H3,(H,31,32,35).
What are the key properties of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 170130382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).