N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide

C28H33N9O3 — CID 170633752

About N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide

N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170633752) has the molecular formula C28H33N9O3 and a molecular weight of 543.63 g/mol. Its IUPAC name is N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170633752
• Molecular Formula: C28H33N9O3
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.27
• IUPAC Name: N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC3(CC2)CC3CCO)cc1NC(=O)c1nnn2cc(-c3cnn(C)c3)ccc12
• InChI: InChI=1S/C28H33N9O3/c1-18-23(32-27(40)26-24-4-3-19(16-37(24)34-33-26)20-13-30-35(2)15-20)11-22(14-29-18)31-25(39)17-36-8-6-28(7-9-36)12-21(28)5-10-38/h3-4,11,13-16,21,38H,5-10,12,17H2,1-2H3,(H,31,39)(H,32,40)
• InChIKey: VOZCDCOGXBMJGW-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 142.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide (CID 170633752) is N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCC3(CC2)CC3CCO)cc1NC(=O)c1nnn2cc(-c3cnn(C)c3)ccc12.

What is the InChIKey of N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is VOZCDCOGXBMJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N9O3/c1-18-23(32-27(40)26-24-4-3-19(16-37(24)34-33-26)20-13-30-35(2)15-20)11-22(14-29-18)31-25(39)17-36-8-6-28(7-9-36)12-21(28)5-10-38/h3-4,11,13-16,21,38H,5-10,12,17H2,1-2H3,(H,31,39)(H,32,40).

What are the key properties of N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 543.63 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-[2-(2-hydroxyethyl)-6-azaspiro[2.5]octan-6-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170633752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).