5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide

C44H52N8O4 — CID 153194185

About 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide

5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide (PubChem CID 153194185) has the molecular formula C44H52N8O4 and a molecular weight of 756.95 g/mol. Its IUPAC name is 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide.

Molecular Properties

• Compound Name: 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
• PubChem CID: 153194185
• Molecular Formula: C44H52N8O4
• Molecular Weight: 756.95 g/mol
• Exact Mass: 756.41
• IUPAC Name: 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
• SMILES: CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)COC4)CC3)cc3ncn(C4CC4)c23)ccc1C
• InChI: InChI=1S/C44H52N8O4/c1-27-7-9-29(20-33(27)40(53)45-3)47-39-38-36(46-26-51(38)30-10-11-30)23-35(48-39)28-8-12-34-37(19-28)52(32-21-31(22-32)49-15-5-4-6-16-49)42(55)44(34)13-17-50(18-14-44)41(54)43(2)24-56-25-43/h7-9,12,19-20,23,26,30-32H,4-6,10-11,13-18,21-22,24-25H2,1-3H3,(H,45,53)(H,47,48)
• InChIKey: WIQLBATYWLWTBQ-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 124.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.95
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

The IUPAC name of 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide (CID 153194185) is 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide.

What is the SMILES notation for 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

The canonical SMILES for 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)COC4)CC3)cc3ncn(C4CC4)c23)ccc1C.

What is the InChIKey of 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

The InChIKey is WIQLBATYWLWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N8O4/c1-27-7-9-29(20-33(27)40(53)45-3)47-39-38-36(46-26-51(38)30-10-11-30)23-35(48-39)28-8-12-34-37(19-28)52(32-21-31(22-32)49-15-5-4-6-16-49)42(55)44(34)13-17-50(18-14-44)41(54)43(2)24-56-25-43/h7-9,12,19-20,23,26,30-32H,4-6,10-11,13-18,21-22,24-25H2,1-3H3,(H,45,53)(H,47,48).

What are the key properties of 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide has a molecular weight of 756.95 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-cyclopropyl-6-[1'-(3-methyloxetane-3-carbonyl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 153194185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).