2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide

C28H28N6O — CID 170130547

IUPAC2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(c2ccccc2)c2ccccc2)nn2cc(C)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H28N6O/c1-4-22-24-16-23(27(35)30-28-29-18-33(5-2)32-28)19(3)17-34(24)31-26(22)25(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,25H,4-5H2,1-3H3,(H,30,32,35)
InChIKeySUEMSPZELIJBFO-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.25
Rot. Bonds7

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

2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 170130547) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID170130547
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(c2ccccc2)c2ccccc2)nn2cc(C)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H28N6O/c1-4-22-24-16-23(27(35)30-28-29-18-33(5-2)32-28)19(3)17-34(24)31-26(22)25(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,25H,4-5H2,1-3H3,(H,30,32,35)
InChIKeySUEMSPZELIJBFO-UHFFFAOYSA-N
XLogP5.25
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzhydryl-1,5-diethyl-N-(1-ethyl-1,2,4-triazol-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 170131766
2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 170130382
5-chloro-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[(2-fluorophenyl)-(2-methylphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 170131199
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
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-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511597
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511596
3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
CID 168678804
3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 46982263
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511592
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19512192
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

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 170130547) is 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(c2ccccc2)c2ccccc2)nn2cc(C)c(C(=O)Nc3ncn(CC)n3)cc12.
What is the InChIKey of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is SUEMSPZELIJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-4-22-24-16-23(27(35)30-28-29-18-33(5-2)32-28)19(3)17-34(24)31-26(22)25(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,25H,4-5H2,1-3H3,(H,30,32,35).
What are the key properties of 2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
2-benzhydryl-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 170130547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).