1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one

C23H23FN4O — CID 71570631

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCNCC4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C23H23FN4O/c1-27-14-18(13-26-27)16-6-7-17(20(24)12-16)15-28-21-5-3-2-4-19(21)23(22(28)29)8-10-25-11-9-23/h2-7,12-14,25H,8-11,15H2,1H3
InChIKeyXPXICPXHKWGNRT-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.39
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 71570631) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID71570631
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCn1cc(-c2ccc(CN3C(=O)C4(CCNCC4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C23H23FN4O/c1-27-14-18(13-26-27)16-6-7-17(20(24)12-16)15-28-21-5-3-2-4-19(21)23(22(28)29)8-10-25-11-9-23/h2-7,12-14,25H,8-11,15H2,1H3
InChIKeyXPXICPXHKWGNRT-UHFFFAOYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one (CID 71570631) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one is Cn1cc(-c2ccc(CN3C(=O)C4(CCNCC4)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is XPXICPXHKWGNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-27-14-18(13-26-27)16-6-7-17(20(24)12-16)15-28-21-5-3-2-4-19(21)23(22(28)29)8-10-25-11-9-23/h2-7,12-14,25H,8-11,15H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 390.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 71570631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).