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

C39H43FN10O3 — CID 146640060

IUPAC1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)c4ncon4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C39H43FN10O3/c1-23(2)49-21-42-31-18-30(45-34(33(31)49)44-29-7-11-41-19-28(29)40)24-5-6-27-32(15-24)50(26-16-25(17-26)48-12-8-38(3,4)20-48)37(52)39(27)9-13-47(14-10-39)36(51)35-43-22-53-46-35/h5-7,11,15,18-19,21-23,25-26H,8-10,12-14,16-17,20H2,1-4H3,(H,41,44,45)
InChIKeyVORIQRAQKCRERS-UHFFFAOYSA-N
MW718.84 g/mol
LogP6.12
Rot. Bonds7

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

1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146640060) has the molecular formula C39H43FN10O3 and a molecular weight of 718.84 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146640060
Molecular FormulaC39H43FN10O3
Molecular Weight718.84 g/mol
Exact Mass718.35
IUPAC Name1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)c4ncon4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C39H43FN10O3/c1-23(2)49-21-42-31-18-30(45-34(33(31)49)44-29-7-11-41-19-28(29)40)24-5-6-27-32(15-24)50(26-16-25(17-26)48-12-8-38(3,4)20-48)37(52)39(27)9-13-47(14-10-39)36(51)35-43-22-53-46-35/h5-7,11,15,18-19,21-23,25-26H,8-10,12-14,16-17,20H2,1-4H3,(H,41,44,45)
InChIKeyVORIQRAQKCRERS-UHFFFAOYSA-N
XLogP6.12
TPSA138.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.84
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)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 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 146640060) is 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)c4ncon4)CC3)nc(Nc3ccncc3F)c21.
What is the InChIKey of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is VORIQRAQKCRERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43FN10O3/c1-23(2)49-21-42-31-18-30(45-34(33(31)49)44-29-7-11-41-19-28(29)40)24-5-6-27-32(15-24)50(26-16-25(17-26)48-12-8-38(3,4)20-48)37(52)39(27)9-13-47(14-10-39)36(51)35-43-22-53-46-35/h5-7,11,15,18-19,21-23,25-26H,8-10,12-14,16-17,20H2,1-4H3,(H,41,44,45).
What are the key properties of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 718.84 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1,2,4-oxadiazole-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146640060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).