6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one

C33H38FN7O — CID 146639983

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C33H38FN7O/c1-20(2)40-19-36-28-17-27(38-31(30(28)40)37-26-10-11-35-18-25(26)34)21-8-9-24-29(14-21)41(32(42)33(24,3)4)23-15-22(16-23)39-12-6-5-7-13-39/h8-11,14,17-20,22-23H,5-7,12-13,15-16H2,1-4H3,(H,35,37,38)
InChIKeyCJPVKSXZIHJJKF-UHFFFAOYSA-N
MW567.71 g/mol
LogP6.60
Rot. Bonds6

About 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one

6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (PubChem CID 146639983) has the molecular formula C33H38FN7O and a molecular weight of 567.71 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.

Molecular Properties

Compound Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
PubChem CID146639983
Molecular FormulaC33H38FN7O
Molecular Weight567.71 g/mol
Exact Mass567.31
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21
InChIInChI=1S/C33H38FN7O/c1-20(2)40-19-36-28-17-27(38-31(30(28)40)37-26-10-11-35-18-25(26)34)21-8-9-24-29(14-21)41(32(42)33(24,3)4)23-15-22(16-23)39-12-6-5-7-13-39/h8-11,14,17-20,22-23H,5-7,12-13,15-16H2,1-4H3,(H,35,37,38)
InChIKeyCJPVKSXZIHJJKF-UHFFFAOYSA-N
XLogP6.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (CID 146639983) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.
What is the SMILES notation for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The canonical SMILES for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3ccncc3F)c21.
What is the InChIKey of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The InChIKey is CJPVKSXZIHJJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN7O/c1-20(2)40-19-36-28-17-27(38-31(30(28)40)37-26-10-11-35-18-25(26)34)21-8-9-24-29(14-21)41(32(42)33(24,3)4)23-15-22(16-23)39-12-6-5-7-13-39/h8-11,14,17-20,22-23H,5-7,12-13,15-16H2,1-4H3,(H,35,37,38).
What are the key properties of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one has a molecular weight of 567.71 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 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is sourced from PubChem (CID 146639983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).