N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C26H29N9O3 — CID 170634077

About N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634077) has the molecular formula C26H29N9O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• PubChem CID: 170634077
• Molecular Formula: C26H29N9O3
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.24
• IUPAC Name: N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC23COC3)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
• InChI: InChI=1S/C26H29N9O3/c1-17-21(10-19(12-28-17)24(36)27-6-9-34-7-3-5-26(34)15-38-16-26)30-25(37)23-32-31-22-11-18(4-8-35(22)23)20-13-29-33(2)14-20/h4,8,10-14H,3,5-7,9,15-16H2,1-2H3,(H,27,36)(H,30,37)
• InChIKey: REKVDLGWBKMWMP-UHFFFAOYSA-N
• XLogP: 1.68
• 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	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634077) is N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC23COC3)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12.

What is the InChIKey of N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is REKVDLGWBKMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O3/c1-17-21(10-19(12-28-17)24(36)27-6-9-34-7-3-5-26(34)15-38-16-26)30-25(37)23-32-31-22-11-18(4-8-35(22)23)20-13-29-33(2)14-20/h4,8,10-14H,3,5-7,9,15-16H2,1-2H3,(H,27,36)(H,30,37).

What are the key properties of N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

N-[2-methyl-5-[2-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 515.58 g/mol, XLogP of 1.68, 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-(2-oxa-5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).