1-[3-(5-azaspiro[2.4]heptan-5-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 146639928

IUPAC1-[3-(5-azaspiro[2.4]heptan-5-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(N5CCC6(CC6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H38FN7O/c1-20(2)41-19-37-28-16-27(39-31(30(28)41)38-26-7-11-36-17-25(26)35)21-5-6-24-29(13-21)42(32(43)33(24,3)4)23-14-22(15-23)40-12-10-34(18-40)8-9-34/h5-7,11,13,16-17,19-20,22-23H,8-10,12,14-15,18H2,1-4H3,(H,36,38,39)
InChIKeyPIHQQVBICOCWGU-UHFFFAOYSA-N
MW579.72 g/mol
LogP6.60
Rot. Bonds6

About 1-[3-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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 146639928) has the molecular formula C34H38FN7O and a molecular weight of 579.72 g/mol. Its IUPAC name is 1-[3-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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 CID146639928
Molecular FormulaC34H38FN7O
Molecular Weight579.72 g/mol
Exact Mass579.31
IUPAC Name1-[3-(5-azaspiro[2.4]heptan-5-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(N5CCC6(CC6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C34H38FN7O/c1-20(2)41-19-37-28-16-27(39-31(30(28)41)38-26-7-11-36-17-25(26)35)21-5-6-24-29(13-21)42(32(43)33(24,3)4)23-14-22(15-23)40-12-10-34(18-40)8-9-34/h5-7,11,13,16-17,19-20,22-23H,8-10,12,14-15,18H2,1-4H3,(H,36,38,39)
InChIKeyPIHQQVBICOCWGU-UHFFFAOYSA-N
XLogP6.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.72
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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 146639928) is 1-[3-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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(N5CCC6(CC6)C5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(5-azaspiro[2.4]heptan-5-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 PIHQQVBICOCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN7O/c1-20(2)41-19-37-28-16-27(39-31(30(28)41)38-26-7-11-36-17-25(26)35)21-5-6-24-29(13-21)42(32(43)33(24,3)4)23-14-22(15-23)40-12-10-34(18-40)8-9-34/h5-7,11,13,16-17,19-20,22-23H,8-10,12,14-15,18H2,1-4H3,(H,36,38,39).
What are the key properties of 1-[3-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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-(5-azaspiro[2.4]heptan-5-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 146639928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).