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

C24H31N7O — CID 131646918

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

3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131646918) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 131646918
• Molecular Formula: C24H31N7O
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.26
• IUPAC Name: 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc3nnc(C4CN(CC5CC5)CCN4C(C)C)n3c2)ccn1
• InChI: InChI=1S/C24H31N7O/c1-16(2)30-11-10-29(13-18-4-5-18)15-21(30)23-28-27-22-7-6-19(14-31(22)23)24(32)26-20-8-9-25-17(3)12-20/h6-9,12,14,16,18,21H,4-5,10-11,13,15H2,1-3H3,(H,25,26,32)
• InChIKey: TUOGCNXUGQEOSA-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131646918) is 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1cc(NC(=O)c2ccc3nnc(C4CN(CC5CC5)CCN4C(C)C)n3c2)ccn1.

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

The InChIKey is TUOGCNXUGQEOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-16(2)30-11-10-29(13-18-4-5-18)15-21(30)23-28-27-22-7-6-19(14-31(22)23)24(32)26-20-8-9-25-17(3)12-20/h6-9,12,14,16,18,21H,4-5,10-11,13,15H2,1-3H3,(H,25,26,32).

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

3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131646918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).