1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one

C34H38FN7O — CID 146640396

About 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one

1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one (PubChem CID 146640396) has the molecular formula C34H38FN7O and a molecular weight of 579.72 g/mol. Its IUPAC name is 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one.

Molecular Properties

• Compound Name: 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
• PubChem CID: 146640396
• Molecular Formula: C34H38FN7O
• Molecular Weight: 579.72 g/mol
• Exact Mass: 579.31
• IUPAC Name: 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@H]6CC[C@@H]5C6)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
• InChI: InChI=1S/C34H38FN7O/c1-19(2)41-18-37-29-15-28(39-32(31(29)41)38-27-9-10-36-16-26(27)35)21-6-8-25-30(12-21)42(33(43)34(25,3)4)24-13-23(14-24)40-17-20-5-7-22(40)11-20/h6,8-10,12,15-16,18-20,22-24H,5,7,11,13-14,17H2,1-4H3,(H,36,38,39)/t20-,22+,23?,24?/m0/s1
• InChIKey: UYULRECLSFRYLY-BXMRJKBZSA-N
• XLogP: 6.60
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.72
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?

The IUPAC name of 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one (CID 146640396) is 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one.

What is the SMILES notation for 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?

The canonical SMILES for 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5C[C@H]6CC[C@@H]5C6)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.

What is the InChIKey of 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?

The InChIKey is UYULRECLSFRYLY-BXMRJKBZSA-N. The full InChI is InChI=1S/C34H38FN7O/c1-19(2)41-18-37-29-15-28(39-32(31(29)41)38-27-9-10-36-16-26(27)35)21-6-8-25-30(12-21)42(33(43)34(25,3)4)24-13-23(14-24)40-17-20-5-7-22(40)11-20/h6,8-10,12,15-16,18-20,22-24H,5,7,11,13-14,17H2,1-4H3,(H,36,38,39)/t20-,22+,23?,24?/m0/s1.

What are the key properties of 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one?

1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one has a molecular weight of 579.72 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 146640396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).