1-[3-(3-azabicyclo[3.2.1]octan-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

C35H40FN7O — CID 146639949

IUPAC1-[3-(3-azabicyclo[3.2.1]octan-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(N5CC6CCC(C6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C35H40FN7O/c1-20(2)42-19-38-30-15-29(40-33(32(30)42)39-28-9-10-37-16-27(28)36)23-7-8-26-31(12-23)43(34(44)35(26,3)4)25-13-24(14-25)41-17-21-5-6-22(11-21)18-41/h7-10,12,15-16,19-22,24-25H,5-6,11,13-14,17-18H2,1-4H3,(H,37,39,40)
InChIKeyMCJIHEQYEUFJMP-UHFFFAOYSA-N
MW593.75 g/mol
LogP6.84
Rot. Bonds6

About 1-[3-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-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 146639949) has the molecular formula C35H40FN7O and a molecular weight of 593.75 g/mol. Its IUPAC name is 1-[3-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-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 CID146639949
Molecular FormulaC35H40FN7O
Molecular Weight593.75 g/mol
Exact Mass593.33
IUPAC Name1-[3-(3-azabicyclo[3.2.1]octan-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(N5CC6CCC(C6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C35H40FN7O/c1-20(2)42-19-38-30-15-29(40-33(32(30)42)39-28-9-10-37-16-27(28)36)23-7-8-26-31(12-23)43(34(44)35(26,3)4)25-13-24(14-25)41-17-21-5-6-22(11-21)18-41/h7-10,12,15-16,19-22,24-25H,5-6,11,13-14,17-18H2,1-4H3,(H,37,39,40)
InChIKeyMCJIHEQYEUFJMP-UHFFFAOYSA-N
XLogP6.84
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-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[3.2.1]octan-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 146639949) is 1-[3-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-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[3.2.1]octan-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(N5CC6CCC(C6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(3-azabicyclo[3.2.1]octan-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 MCJIHEQYEUFJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40FN7O/c1-20(2)42-19-38-30-15-29(40-33(32(30)42)39-28-9-10-37-16-27(28)36)23-7-8-26-31(12-23)43(34(44)35(26,3)4)25-13-24(14-25)41-17-21-5-6-22(11-21)18-41/h7-10,12,15-16,19-22,24-25H,5-6,11,13-14,17-18H2,1-4H3,(H,37,39,40).
What are the key properties of 1-[3-(3-azabicyclo[3.2.1]octan-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[3.2.1]octan-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 593.75 g/mol, XLogP of 6.84, 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[3.2.1]octan-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 146639949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).