1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C32H39ClN6O2 — CID 146592366

About 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146592366) has the molecular formula C32H39ClN6O2 and a molecular weight of 575.16 g/mol. Its IUPAC name is 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 146592366
• Molecular Formula: C32H39ClN6O2
• Molecular Weight: 575.16 g/mol
• Exact Mass: 574.28
• IUPAC Name: 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Cl)n3)ccc12
• InChI: InChI=1S/C32H39ClN6O2/c1-20(2)38-19-34-27-18-26(35-30(33)29(27)38)22-7-8-25-28(15-22)39(24-16-23(17-24)37-11-5-4-6-12-37)31(41)32(25)9-13-36(14-10-32)21(3)40/h7-8,15,18-20,23-24H,4-6,9-14,16-17H2,1-3H3
• InChIKey: PTENWHIHSNSMSN-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.16
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 146592366) is 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Cl)n3)ccc12.

What is the InChIKey of 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?

The InChIKey is PTENWHIHSNSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN6O2/c1-20(2)38-19-34-27-18-26(35-30(33)29(27)38)22-7-8-25-28(15-22)39(24-16-23(17-24)37-11-5-4-6-12-37)31(41)32(25)9-13-36(14-10-32)21(3)40/h7-8,15,18-20,23-24H,4-6,9-14,16-17H2,1-3H3.

What are the key properties of 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?

1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 575.16 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146592366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).