6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one

C39H46F2N8O2 — CID 146640394

IUPAC6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccnc(F)c3F)c21
InChIInChI=1S/C39H46F2N8O2/c1-23(2)48-22-43-31-18-30(45-36(34(31)48)44-29-7-11-42-35(41)33(29)40)24-5-6-28-32(15-24)49(26-16-25(17-26)47-12-8-38(3,4)21-47)37(50)39(28)9-13-46(14-10-39)27-19-51-20-27/h5-7,11,15,18,22-23,25-27H,8-10,12-14,16-17,19-21H2,1-4H3,(H,42,44,45)
InChIKeyOCYRDMYTDARXQV-UHFFFAOYSA-N
MW696.85 g/mol
LogP6.44
Rot. Bonds7

About 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one

6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146640394) has the molecular formula C39H46F2N8O2 and a molecular weight of 696.85 g/mol. Its IUPAC name is 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146640394
Molecular FormulaC39H46F2N8O2
Molecular Weight696.85 g/mol
Exact Mass696.37
IUPAC Name6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccnc(F)c3F)c21
InChIInChI=1S/C39H46F2N8O2/c1-23(2)48-22-43-31-18-30(45-36(34(31)48)44-29-7-11-42-35(41)33(29)40)24-5-6-28-32(15-24)49(26-16-25(17-26)47-12-8-38(3,4)21-47)37(50)39(28)9-13-46(14-10-39)27-19-51-20-27/h5-7,11,15,18,22-23,25-27H,8-10,12-14,16-17,19-21H2,1-4H3,(H,42,44,45)
InChIKeyOCYRDMYTDARXQV-UHFFFAOYSA-N
XLogP6.44
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (CID 146640394) is 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-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]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)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]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is OCYRDMYTDARXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46F2N8O2/c1-23(2)48-22-43-31-18-30(45-36(34(31)48)44-29-7-11-42-35(41)33(29)40)24-5-6-28-32(15-24)49(26-16-25(17-26)47-12-8-38(3,4)21-47)37(50)39(28)9-13-46(14-10-39)27-19-51-20-27/h5-7,11,15,18,22-23,25-27H,8-10,12-14,16-17,19-21H2,1-4H3,(H,42,44,45).
What are the key properties of 6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
6-[4-[(2,3-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 696.85 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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]-1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146640394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).