1-[3-(6,6-dimethyl-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

C35H40FN7O — CID 146639955

IUPAC1-[3-(6,6-dimethyl-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(N5CC6C(C5)C6(C)C)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C35H40FN7O/c1-19(2)42-18-38-29-14-28(40-32(31(29)42)39-27-9-10-37-15-26(27)36)20-7-8-23-30(11-20)43(33(44)35(23,5)6)22-12-21(13-22)41-16-24-25(17-41)34(24,3)4/h7-11,14-15,18-19,21-22,24-25H,12-13,16-17H2,1-6H3,(H,37,39,40)
InChIKeyVOOIPEZUJPWYCA-UHFFFAOYSA-N
MW593.75 g/mol
LogP6.70
Rot. Bonds6

About 1-[3-(6,6-dimethyl-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-(6,6-dimethyl-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 146639955) has the molecular formula C35H40FN7O and a molecular weight of 593.75 g/mol. Its IUPAC name is 1-[3-(6,6-dimethyl-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-(6,6-dimethyl-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 CID146639955
Molecular FormulaC35H40FN7O
Molecular Weight593.75 g/mol
Exact Mass593.33
IUPAC Name1-[3-(6,6-dimethyl-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(N5CC6C(C5)C6(C)C)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C35H40FN7O/c1-19(2)42-18-38-29-14-28(40-32(31(29)42)39-27-9-10-37-15-26(27)36)20-7-8-23-30(11-20)43(33(44)35(23,5)6)22-12-21(13-22)41-16-24-25(17-41)34(24,3)4/h7-11,14-15,18-19,21-22,24-25H,12-13,16-17H2,1-6H3,(H,37,39,40)
InChIKeyVOOIPEZUJPWYCA-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(6,6-dimethyl-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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Related Compounds

4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
US9718828, Example, 397
CID 71226110
4-(8-amino-3-((6R,8aS)-octahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902377
4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl) imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77105257
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106038
(3S)-1'-(cyclopropanecarbonyl)-5-[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 131964573
(3S)-1'-(cyclopropanecarbonyl)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 131964980
4-[8-amino-3-[(3R)-1-(1-methylcyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137646450
4-[3-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 162653279
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 162672852
6-(4-Fluoro-phenyl)-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-piperidine-1-carbonyl]-indole-1-carboxylic acid dimethylamide
CID 10554403

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,6-dimethyl-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-(6,6-dimethyl-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 146639955) is 1-[3-(6,6-dimethyl-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-(6,6-dimethyl-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-(6,6-dimethyl-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(N5CC6C(C5)C6(C)C)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(6,6-dimethyl-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 VOOIPEZUJPWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40FN7O/c1-19(2)42-18-38-29-14-28(40-32(31(29)42)39-27-9-10-37-15-26(27)36)20-7-8-23-30(11-20)43(33(44)35(23,5)6)22-12-21(13-22)41-16-24-25(17-41)34(24,3)4/h7-11,14-15,18-19,21-22,24-25H,12-13,16-17H2,1-6H3,(H,37,39,40).
What are the key properties of 1-[3-(6,6-dimethyl-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-(6,6-dimethyl-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 593.75 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,6-dimethyl-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 146639955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).