N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C27H30N8O3 — CID 170634506

About N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634506) has the molecular formula C27H30N8O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 170634506
• Molecular Formula: C27H30N8O3
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.24
• IUPAC Name: N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC3(CCOC3)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1
• InChI: InChI=1S/C27H30N8O3/c1-17-22(9-21(12-28-17)31-24(36)14-35-5-3-27(15-35)4-6-38-16-27)33-26(37)19-7-18-8-23(32-25(18)29-10-19)20-11-30-34(2)13-20/h7-13H,3-6,14-16H2,1-2H3,(H,29,32)(H,31,36)(H,33,37)
• InChIKey: WKUFVBAMESRBGL-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 130.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634506) is N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCC3(CCOC3)C2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1.

What is the InChIKey of N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is WKUFVBAMESRBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3/c1-17-22(9-21(12-28-17)31-24(36)14-35-5-3-27(15-35)4-6-38-16-27)33-26(37)19-7-18-8-23(32-25(18)29-10-19)20-11-30-34(2)13-20/h7-13H,3-6,14-16H2,1-2H3,(H,29,32)(H,31,36)(H,33,37).

What are the key properties of N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 2.97, 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-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).