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

C37H42F2N8O2 — CID 146639948

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC[C@H](F)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C37H42F2N8O2/c1-22(2)46-21-41-32-16-31(43-35(34(32)46)42-30-5-9-40-17-29(30)39)23-3-4-28-33(13-23)47(26-14-25(15-26)45-10-6-24(38)18-45)36(48)37(28)7-11-44(12-8-37)27-19-49-20-27/h3-5,9,13,16-17,21-22,24-27H,6-8,10-12,14-15,18-20H2,1-2H3,(H,40,42,43)/t24-,25?,26?/m0/s1
InChIKeyDCMFAYXGMHAWPH-IHSPPPAMSA-N
MW668.79 g/mol
LogP5.61
Rot. Bonds7

About 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146639948) has the molecular formula C37H42F2N8O2 and a molecular weight of 668.79 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-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146639948
Molecular FormulaC37H42F2N8O2
Molecular Weight668.79 g/mol
Exact Mass668.34
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC[C@H](F)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C37H42F2N8O2/c1-22(2)46-21-41-32-16-31(43-35(34(32)46)42-30-5-9-40-17-29(30)39)23-3-4-28-33(13-23)47(26-14-25(15-26)45-10-6-24(38)18-45)36(48)37(28)7-11-44(12-8-37)27-19-49-20-27/h3-5,9,13,16-17,21-22,24-27H,6-8,10-12,14-15,18-20H2,1-2H3,(H,40,42,43)/t24-,25?,26?/m0/s1
InChIKeyDCMFAYXGMHAWPH-IHSPPPAMSA-N
XLogP5.61
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.79
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-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]-1-[3-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (CID 146639948) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC[C@H](F)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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is DCMFAYXGMHAWPH-IHSPPPAMSA-N. The full InChI is InChI=1S/C37H42F2N8O2/c1-22(2)46-21-41-32-16-31(43-35(34(32)46)42-30-5-9-40-17-29(30)39)23-3-4-28-33(13-23)47(26-14-25(15-26)45-10-6-24(38)18-45)36(48)37(28)7-11-44(12-8-37)27-19-49-20-27/h3-5,9,13,16-17,21-22,24-27H,6-8,10-12,14-15,18-20H2,1-2H3,(H,40,42,43)/t24-,25?,26?/m0/s1.
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-[(3S)-3-fluoropyrrolidin-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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 668.79 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146639948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).