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

C40H47FN8O2 — CID 146639964

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C40H47FN8O2/c1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-9-14-42-23-30(31)41)26-7-8-29-34(19-26)49(28-20-27(21-28)46-15-5-4-6-16-46)38(51)40(29)12-17-47(18-13-40)37(50)39(3)10-11-39/h7-9,14,19,22-25,27-28H,4-6,10-13,15-18,20-21H2,1-3H3,(H,42,44,45)
InChIKeyAUTALOGFKSJMMV-UHFFFAOYSA-N
MW690.87 g/mol
LogP6.98
Rot. Bonds7

About 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146639964) has the molecular formula C40H47FN8O2 and a molecular weight of 690.87 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146639964
Molecular FormulaC40H47FN8O2
Molecular Weight690.87 g/mol
Exact Mass690.38
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CC4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C40H47FN8O2/c1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-9-14-42-23-30(31)41)26-7-8-29-34(19-26)49(28-20-27(21-28)46-15-5-4-6-16-46)38(51)40(29)12-17-47(18-13-40)37(50)39(3)10-11-39/h7-9,14,19,22-25,27-28H,4-6,10-13,15-18,20-21H2,1-3H3,(H,42,44,45)
InChIKeyAUTALOGFKSJMMV-UHFFFAOYSA-N
XLogP6.98
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.87
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-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-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 146639964) is 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4(C)CC4)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is AUTALOGFKSJMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47FN8O2/c1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-9-14-42-23-30(31)41)26-7-8-29-34(19-26)49(28-20-27(21-28)46-15-5-4-6-16-46)38(51)40(29)12-17-47(18-13-40)37(50)39(3)10-11-39/h7-9,14,19,22-25,27-28H,4-6,10-13,15-18,20-21H2,1-3H3,(H,42,44,45).
What are the key properties of 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 690.87 g/mol, XLogP of 6.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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'-(1-methylcyclopropanecarbonyl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146639964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).