N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C27H30N8O2 — CID 170634661

About N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634661) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634661
• Molecular Formula: C27H30N8O2
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.25
• IUPAC Name: N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC3(CCC3)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1
• InChI: InChI=1S/C27H30N8O2/c1-17-22(10-21(13-28-17)31-24(36)15-35-7-6-27(16-35)4-3-5-27)33-26(37)19-8-18-9-23(32-25(18)29-11-19)20-12-30-34(2)14-20/h8-14H,3-7,15-16H2,1-2H3,(H,29,32)(H,31,36)(H,33,37)
• InChIKey: FOLFRJQXHDKLFR-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 120.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634661) is N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCC3(CCC3)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1.

What is the InChIKey of N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is FOLFRJQXHDKLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-17-22(10-21(13-28-17)31-24(36)15-35-7-6-27(16-35)4-3-5-27)33-26(37)19-8-18-9-23(32-25(18)29-11-19)20-12-30-34(2)14-20/h8-14H,3-7,15-16H2,1-2H3,(H,29,32)(H,31,36)(H,33,37).

What are the key properties of N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).