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

C39H52N8O2 — CID 170668449

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

6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 170668449) has the molecular formula C39H52N8O2 and a molecular weight of 664.90 g/mol. Its IUPAC name is 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 170668449
• Molecular Formula: C39H52N8O2
• Molecular Weight: 664.90 g/mol
• Exact Mass: 664.42
• IUPAC Name: 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCCNC4)CC3)nc(NC3CC3)c21
• InChI: InChI=1S/C39H52N8O2/c1-25(2)46-24-41-33-22-32(43-36(35(33)46)42-28-9-10-28)26-8-11-31-34(19-26)47(30-20-29(21-30)44-15-4-3-5-16-44)38(49)39(31)12-17-45(18-13-39)37(48)27-7-6-14-40-23-27/h8,11,19,22,24-25,27-30,40H,3-7,9-10,12-18,20-21,23H2,1-2H3,(H,42,43)/t27-,29?,30?/m1/s1
• InChIKey: UKUGKHMINRJRDV-WWUHRCHBSA-N
• XLogP: 5.48
• TPSA: 98.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.90
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 170668449) is 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

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

The canonical SMILES for 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCCNC4)CC3)nc(NC3CC3)c21.

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

The InChIKey is UKUGKHMINRJRDV-WWUHRCHBSA-N. The full InChI is InChI=1S/C39H52N8O2/c1-25(2)46-24-41-33-22-32(43-36(35(33)46)42-28-9-10-28)26-8-11-31-34(19-26)47(30-20-29(21-30)44-15-4-3-5-16-44)38(49)39(31)12-17-45(18-13-39)37(48)27-7-6-14-40-23-27/h8,11,19,22,24-25,27-30,40H,3-7,9-10,12-18,20-21,23H2,1-2H3,(H,42,43)/t27-,29?,30?/m1/s1.

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

6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 664.90 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-[(3R)-piperidine-3-carbonyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170668449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).