2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C32H36N6O — CID 170737261

About 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 170737261) has the molecular formula C32H36N6O and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 170737261
• Molecular Formula: C32H36N6O
• Molecular Weight: 520.68 g/mol
• Exact Mass: 520.30
• IUPAC Name: 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cn1cnnc1C1(c2cccc(-n3cc(C4CC4)c4cc(CN5CCC6(CC6)C5)[nH]c4c3=O)c2)CC2(CC2)C1
• InChI: InChI=1S/C32H36N6O/c1-36-20-33-35-29(36)32(17-31(18-32)9-10-31)22-3-2-4-24(13-22)38-16-26(21-5-6-21)25-14-23(34-27(25)28(38)39)15-37-12-11-30(19-37)7-8-30/h2-4,13-14,16,20-21,34H,5-12,15,17-19H2,1H3
• InChIKey: PUVSGHCDZGLIJP-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 71.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 170737261) is 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cnnc1C1(c2cccc(-n3cc(C4CC4)c4cc(CN5CCC6(CC6)C5)[nH]c4c3=O)c2)CC2(CC2)C1.

What is the InChIKey of 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is PUVSGHCDZGLIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O/c1-36-20-33-35-29(36)32(17-31(18-32)9-10-31)22-3-2-4-24(13-22)38-16-26(21-5-6-21)25-14-23(34-27(25)28(38)39)15-37-12-11-30(19-37)7-8-30/h2-4,13-14,16,20-21,34H,5-12,15,17-19H2,1H3.

What are the key properties of 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?

2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 520.68 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-azaspiro[2.4]heptan-5-ylmethyl)-4-cyclopropyl-6-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 170737261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).