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

C32H35F2N7O2 — CID 146639941

IUPAC6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)O)nc(Nc3ccnc(F)c3F)c21
InChIInChI=1S/C32H35F2N7O2/c1-18(2)40-17-36-25-16-24(38-30(28(25)40)37-23-9-10-35-29(34)27(23)33)19-7-8-22-26(13-19)41(31(42)32(22,3)43)21-14-20(15-21)39-11-5-4-6-12-39/h7-10,13,16-18,20-21,43H,4-6,11-12,14-15H2,1-3H3,(H,35,37,38)
InChIKeyXIUBPKFIUQXQIM-UHFFFAOYSA-N
MW587.68 g/mol
LogP5.67
Rot. Bonds6

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

6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (PubChem CID 146639941) has the molecular formula C32H35F2N7O2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.

Molecular Properties

Compound Name6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
PubChem CID146639941
Molecular FormulaC32H35F2N7O2
Molecular Weight587.68 g/mol
Exact Mass587.28
IUPAC Name6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)O)nc(Nc3ccnc(F)c3F)c21
InChIInChI=1S/C32H35F2N7O2/c1-18(2)40-17-36-25-16-24(38-30(28(25)40)37-23-9-10-35-29(34)27(23)33)19-7-8-22-26(13-19)41(31(42)32(22,3)43)21-14-20(15-21)39-11-5-4-6-12-39/h7-10,13,16-18,20-21,43H,4-6,11-12,14-15H2,1-3H3,(H,35,37,38)
InChIKeyXIUBPKFIUQXQIM-UHFFFAOYSA-N
XLogP5.67
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The IUPAC name of 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (CID 146639941) is 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.
What is the SMILES notation for 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The canonical SMILES for 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)O)nc(Nc3ccnc(F)c3F)c21.
What is the InChIKey of 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
The InChIKey is XIUBPKFIUQXQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O2/c1-18(2)40-17-36-25-16-24(38-30(28(25)40)37-23-9-10-35-29(34)27(23)33)19-7-8-22-26(13-19)41(31(42)32(22,3)43)21-14-20(15-21)39-11-5-4-6-12-39/h7-10,13,16-18,20-21,43H,4-6,11-12,14-15H2,1-3H3,(H,35,37,38).
What are the key properties of 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?
6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one has a molecular weight of 587.68 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is sourced from PubChem (CID 146639941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).