6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C37H43FN8O2 — CID 146639969

IUPAC6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCCn1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C37H43FN8O2/c1-2-43-23-40-32-19-31(42-35(34(32)43)41-30-8-11-39-20-29(30)38)24-6-7-28-33(16-24)46(26-17-25(18-26)44-12-4-3-5-13-44)36(47)37(28)9-14-45(15-10-37)27-21-48-22-27/h6-8,11,16,19-20,23,25-27H,2-5,9-10,12-15,17-18,21-22H2,1H3,(H,39,41,42)
InChIKeyPBFGFTREAGTSAL-UHFFFAOYSA-N
MW650.80 g/mol
LogP5.49
Rot. Bonds7

About 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146639969) has the molecular formula C37H43FN8O2 and a molecular weight of 650.80 g/mol. Its IUPAC name is 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146639969
Molecular FormulaC37H43FN8O2
Molecular Weight650.80 g/mol
Exact Mass650.35
IUPAC Name6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCCn1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C37H43FN8O2/c1-2-43-23-40-32-19-31(42-35(34(32)43)41-30-8-11-39-20-29(30)38)24-6-7-28-33(16-24)46(26-17-25(18-26)44-12-4-3-5-13-44)36(47)37(28)9-14-45(15-10-37)27-21-48-22-27/h6-8,11,16,19-20,23,25-27H,2-5,9-10,12-15,17-18,21-22H2,1H3,(H,39,41,42)
InChIKeyPBFGFTREAGTSAL-UHFFFAOYSA-N
XLogP5.49
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.80
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 146639969) is 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CCn1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21.
What is the InChIKey of 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PBFGFTREAGTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43FN8O2/c1-2-43-23-40-32-19-31(42-35(34(32)43)41-30-8-11-39-20-29(30)38)24-6-7-28-33(16-24)46(26-17-25(18-26)44-12-4-3-5-13-44)36(47)37(28)9-14-45(15-10-37)27-21-48-22-27/h6-8,11,16,19-20,23,25-27H,2-5,9-10,12-15,17-18,21-22H2,1H3,(H,39,41,42).
What are the key properties of 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 650.80 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethyl-4-[(3-fluoro-4-pyridinyl)amino]imidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146639969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).