N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide

C26H29N9O3 — CID 170634069

About N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170634069) has the molecular formula C26H29N9O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170634069
• Molecular Formula: C26H29N9O3
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.24
• IUPAC Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3ccn(C4COC4)n3)ccc12
• InChI: InChI=1S/C26H29N9O3/c1-16-4-3-8-33(16)13-24(36)28-19-10-22(17(2)27-11-19)29-26(37)25-23-6-5-18(12-35(23)32-30-25)21-7-9-34(31-21)20-14-38-15-20/h5-7,9-12,16,20H,3-4,8,13-15H2,1-2H3,(H,28,36)(H,29,37)/t16-/m0/s1
• InChIKey: CZXDARUKFRIGME-INIZCTEOSA-N
• XLogP: 2.54
• TPSA: 131.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide (CID 170634069) is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3ccn(C4COC4)n3)ccc12.

What is the InChIKey of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is CZXDARUKFRIGME-INIZCTEOSA-N. The full InChI is InChI=1S/C26H29N9O3/c1-16-4-3-8-33(16)13-24(36)28-19-10-22(17(2)27-11-19)29-26(37)25-23-6-5-18(12-35(23)32-30-25)21-7-9-34(31-21)20-14-38-15-20/h5-7,9-12,16,20H,3-4,8,13-15H2,1-2H3,(H,28,36)(H,29,37)/t16-/m0/s1.

What are the key properties of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide?

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 515.58 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-[1-(oxetan-3-yl)pyrazol-3-yl]triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).