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

C39H47FN8O3 — CID 146592414

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC(O)C(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C39H47FN8O3/c1-23(2)47-22-42-32-16-31(44-36(35(32)47)43-30-7-10-41-17-29(30)40)24-5-6-28-33(13-24)48(26-14-25(15-26)46-18-34(49)38(3,4)21-46)37(50)39(28)8-11-45(12-9-39)27-19-51-20-27/h5-7,10,13,16-17,22-23,25-27,34,49H,8-9,11-12,14-15,18-21H2,1-4H3,(H,41,43,44)
InChIKeyPFDZKYLCQGICFU-UHFFFAOYSA-N
MW694.86 g/mol
LogP5.27
Rot. Bonds7

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

6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146592414) has the molecular formula C39H47FN8O3 and a molecular weight of 694.86 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146592414
Molecular FormulaC39H47FN8O3
Molecular Weight694.86 g/mol
Exact Mass694.38
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC(O)C(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C39H47FN8O3/c1-23(2)47-22-42-32-16-31(44-36(35(32)47)43-30-7-10-41-17-29(30)40)24-5-6-28-33(13-24)48(26-14-25(15-26)46-18-34(49)38(3,4)21-46)37(50)39(28)8-11-45(12-9-39)27-19-51-20-27/h5-7,10,13,16-17,22-23,25-27,34,49H,8-9,11-12,14-15,18-21H2,1-4H3,(H,41,43,44)
InChIKeyPFDZKYLCQGICFU-UHFFFAOYSA-N
XLogP5.27
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.86
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-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-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (CID 146592414) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-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-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-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(N5CC(O)C(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)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]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PFDZKYLCQGICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47FN8O3/c1-23(2)47-22-42-32-16-31(44-36(35(32)47)43-30-7-10-41-17-29(30)40)24-5-6-28-33(13-24)48(26-14-25(15-26)46-18-34(49)38(3,4)21-46)37(50)39(28)8-11-45(12-9-39)27-19-51-20-27/h5-7,10,13,16-17,22-23,25-27,34,49H,8-9,11-12,14-15,18-21H2,1-4H3,(H,41,43,44).
What are the key properties of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 694.86 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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]-1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146592414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).