1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide

C23H19N7O — CID 134014151

IUPAC1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H19N7O/c31-23(25-13-11-21-27-26-20-10-4-5-14-29(20)21)19-16-30(18-8-2-1-3-9-18)28-22(19)17-7-6-12-24-15-17/h1-10,12,14-16H,11,13H2,(H,25,31)
InChIKeyFYVZNHMZAYYXHE-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.95
Rot. Bonds6

About 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide

1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 134014151) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID134014151
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H19N7O/c31-23(25-13-11-21-27-26-20-10-4-5-14-29(20)21)19-16-30(18-8-2-1-3-9-18)28-22(19)17-7-6-12-24-15-17/h1-10,12,14-16H,11,13H2,(H,25,31)
InChIKeyFYVZNHMZAYYXHE-UHFFFAOYSA-N
XLogP2.95
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
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N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 42025013
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide (CID 134014151) is 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide is O=C(NCCc1nnc2ccccn12)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is FYVZNHMZAYYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c31-23(25-13-11-21-27-26-20-10-4-5-14-29(20)21)19-16-30(18-8-2-1-3-9-18)28-22(19)17-7-6-12-24-15-17/h1-10,12,14-16H,11,13H2,(H,25,31).
What are the key properties of 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134014151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).