1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one

C36H45N7O2 — CID 146640237

About 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one

1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one (PubChem CID 146640237) has the molecular formula C36H45N7O2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one.

Molecular Properties

• Compound Name: 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one
• PubChem CID: 146640237
• Molecular Formula: C36H45N7O2
• Molecular Weight: 607.80 g/mol
• Exact Mass: 607.36
• IUPAC Name: 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCC(C)(C)C5)C3)C(=O)C4(C)C)nc(Nc3ccc(=O)n(C)c3)c21
• InChI: InChI=1S/C36H45N7O2/c1-22(2)42-21-37-29-18-28(39-33(32(29)42)38-24-10-12-31(44)40(7)19-24)23-9-11-27-30(15-23)43(34(45)36(27,5)6)26-16-25(17-26)41-14-8-13-35(3,4)20-41/h9-12,15,18-19,21-22,25-26H,8,13-14,16-17,20H2,1-7H3,(H,38,39)
• InChIKey: PIZUHRXDYFUCOP-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 88.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.80
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one?

The IUPAC name of 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one (CID 146640237) is 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one.

What is the SMILES notation for 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one?

The canonical SMILES for 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCC(C)(C)C5)C3)C(=O)C4(C)C)nc(Nc3ccc(=O)n(C)c3)c21.

What is the InChIKey of 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one?

The InChIKey is PIZUHRXDYFUCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N7O2/c1-22(2)42-21-37-29-18-28(39-33(32(29)42)38-24-10-12-31(44)40(7)19-24)23-9-11-27-30(15-23)43(34(45)36(27,5)6)26-16-25(17-26)41-14-8-13-35(3,4)20-41/h9-12,15,18-19,21-22,25-26H,8,13-14,16-17,20H2,1-7H3,(H,38,39).

What are the key properties of 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one?

1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one has a molecular weight of 607.80 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one is sourced from PubChem (CID 146640237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).