1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C23H18N6O — CID 165414907

IUPAC1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C23H18N6O/c1-28-21(19(15-24-28)16-8-4-2-5-9-16)23(30)25-18-12-13-29-20(14-18)26-22(27-29)17-10-6-3-7-11-17/h2-15H,1H3,(H,25,30)
InChIKeyVFKLRRYZZWMKBJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.05
Rot. Bonds4

About 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 165414907) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID165414907
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C23H18N6O/c1-28-21(19(15-24-28)16-8-4-2-5-9-16)23(30)25-18-12-13-29-20(14-18)26-22(27-29)17-10-6-3-7-11-17/h2-15H,1H3,(H,25,30)
InChIKeyVFKLRRYZZWMKBJ-UHFFFAOYSA-N
XLogP4.05
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 165414907) is 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2ccccc2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is VFKLRRYZZWMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-28-21(19(15-24-28)16-8-4-2-5-9-16)23(30)25-18-12-13-29-20(14-18)26-22(27-29)17-10-6-3-7-11-17/h2-15H,1H3,(H,25,30).
What are the key properties of 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165414907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).