N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide

C24H21N7O2 — CID 138595192

About N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (PubChem CID 138595192) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
• PubChem CID: 138595192
• Molecular Formula: C24H21N7O2
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.18
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)c1
• InChI: InChI=1S/C24H21N7O2/c1-16-5-3-8-23(28-16)31-21(18-9-10-22-26-15-27-30(22)14-18)12-20(29-31)24(32)25-13-17-6-4-7-19(11-17)33-2/h3-12,14-15H,13H2,1-2H3,(H,25,32)
• InChIKey: QKDZEQKQIGZNCB-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 99.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (CID 138595192) is N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is COc1cccc(CNC(=O)c2cc(-c3ccc4ncnn4c3)n(-c3cccc(C)n3)n2)c1.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

The InChIKey is QKDZEQKQIGZNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-16-5-3-8-23(28-16)31-21(18-9-10-22-26-15-27-30(22)14-18)12-20(29-31)24(32)25-13-17-6-4-7-19(11-17)33-2/h3-12,14-15H,13H2,1-2H3,(H,25,32).

What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?

N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138595192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).