N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H23N9O — CID 131651617

About N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131651617) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 131651617
• Molecular Formula: C22H23N9O
• Molecular Weight: 429.49 g/mol
• Exact Mass: 429.20
• IUPAC Name: N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccc3nnc(C4CN(c5ncccn5)CCN4C)n3c2)cn1
• InChI: InChI=1S/C22H23N9O/c1-15-4-6-17(12-25-15)26-21(32)16-5-7-19-27-28-20(31(19)13-16)18-14-30(11-10-29(18)2)22-23-8-3-9-24-22/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,26,32)
• InChIKey: CMMINYKSJDVDBD-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 104.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.49
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131651617) is N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3nnc(C4CN(c5ncccn5)CCN4C)n3c2)cn1.

What is the InChIKey of N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is CMMINYKSJDVDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c1-15-4-6-17(12-25-15)26-21(32)16-5-7-19-27-28-20(31(19)13-16)18-14-30(11-10-29(18)2)22-23-8-3-9-24-22/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,26,32).

What are the key properties of N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-3-pyridinyl)-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131651617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).