1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one

C33H36FN7O — CID 146639926

IUPAC1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C33H36FN7O/c1-18(2)40-17-36-28-13-27(38-31(30(28)40)37-26-7-8-35-14-25(26)34)19-5-6-24-29(10-19)41(32(42)33(24,3)4)23-11-22(12-23)39-15-20-9-21(20)16-39/h5-8,10,13-14,17-18,20-23H,9,11-12,15-16H2,1-4H3,(H,35,37,38)
InChIKeyOXDWFPQYVASGSM-UHFFFAOYSA-N
MW565.70 g/mol
LogP6.06
Rot. Bonds6

About 1-[3-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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 146639926) has the molecular formula C33H36FN7O and a molecular weight of 565.70 g/mol. Its IUPAC name is 1-[3-(3-azabicyclo[3.1.0]hexan-3-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 Name1-[3-(3-azabicyclo[3.1.0]hexan-3-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 CID146639926
Molecular FormulaC33H36FN7O
Molecular Weight565.70 g/mol
Exact Mass565.30
IUPAC Name1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C33H36FN7O/c1-18(2)40-17-36-28-13-27(38-31(30(28)40)37-26-7-8-35-14-25(26)34)19-5-6-24-29(10-19)41(32(42)33(24,3)4)23-11-22(12-23)39-15-20-9-21(20)16-39/h5-8,10,13-14,17-18,20-23H,9,11-12,15-16H2,1-4H3,(H,35,37,38)
InChIKeyOXDWFPQYVASGSM-UHFFFAOYSA-N
XLogP6.06
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethylindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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 146639926) is 1-[3-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(3-azabicyclo[3.1.0]hexan-3-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 OXDWFPQYVASGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O/c1-18(2)40-17-36-28-13-27(38-31(30(28)40)37-26-7-8-35-14-25(26)34)19-5-6-24-29(10-19)41(32(42)33(24,3)4)23-11-22(12-23)39-15-20-9-21(20)16-39/h5-8,10,13-14,17-18,20-23H,9,11-12,15-16H2,1-4H3,(H,35,37,38).
What are the key properties of 1-[3-(3-azabicyclo[3.1.0]hexan-3-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-(3-azabicyclo[3.1.0]hexan-3-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 565.70 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-azabicyclo[3.1.0]hexan-3-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 146639926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).