N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C23H25N9O2 — CID 170634193

About N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634193) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• PubChem CID: 170634193
• Molecular Formula: C23H25N9O2
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.21
• IUPAC Name: N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@H]2C)cc1NC(=O)c1nnc2cc(-c3cn[nH]c3)ccn12
• InChI: InChI=1S/C23H25N9O2/c1-14-4-3-6-31(14)13-21(33)27-18-9-19(15(2)24-12-18)28-23(34)22-30-29-20-8-16(5-7-32(20)22)17-10-25-26-11-17/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,25,26)(H,27,33)(H,28,34)/t14-/m1/s1
• InChIKey: JDKLHBNSRWFUNA-CQSZACIVSA-N
• XLogP: 2.50
• TPSA: 133.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634193) is N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@H]2C)cc1NC(=O)c1nnc2cc(-c3cn[nH]c3)ccn12.

What is the InChIKey of N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is JDKLHBNSRWFUNA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-14-4-3-6-31(14)13-21(33)27-18-9-19(15(2)24-12-18)28-23(34)22-30-29-20-8-16(5-7-32(20)22)17-10-25-26-11-17/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,25,26)(H,27,33)(H,28,34)/t14-/m1/s1.

What are the key properties of N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).