3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one

C29H23FN2O2 — CID 90872824

IUPAC3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one
SMILESCC(Cc1ccc(F)cc1)C(=O)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccccc3)c2c1
InChIInChI=1S/C29H23FN2O2/c1-18(16-19-9-12-22(30)13-10-19)28(33)21-11-14-25-24(17-21)26(20-6-3-2-4-7-20)27(32-25)23-8-5-15-31-29(23)34/h2-15,17-18,32H,16H2,1H3,(H,31,34)
InChIKeyWIRIHVXGVVSXOX-UHFFFAOYSA-N
MW450.51 g/mol
LogP6.39
Rot. Bonds6

About 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one

3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one (PubChem CID 90872824) has the molecular formula C29H23FN2O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one
PubChem CID90872824
Molecular FormulaC29H23FN2O2
Molecular Weight450.51 g/mol
Exact Mass450.17
IUPAC Name3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one
SMILESCC(Cc1ccc(F)cc1)C(=O)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccccc3)c2c1
InChIInChI=1S/C29H23FN2O2/c1-18(16-19-9-12-22(30)13-10-19)28(33)21-11-14-25-24(17-21)26(20-6-3-2-4-7-20)27(32-25)23-8-5-15-31-29(23)34/h2-15,17-18,32H,16H2,1H3,(H,31,34)
InChIKeyWIRIHVXGVVSXOX-UHFFFAOYSA-N
XLogP6.39
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one (CID 90872824) is 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one is CC(Cc1ccc(F)cc1)C(=O)c1ccc2[nH]c(-c3ccc[nH]c3=O)c(-c3ccccc3)c2c1.
What is the InChIKey of 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one?
The InChIKey is WIRIHVXGVVSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O2/c1-18(16-19-9-12-22(30)13-10-19)28(33)21-11-14-25-24(17-21)26(20-6-3-2-4-7-20)27(32-25)23-8-5-15-31-29(23)34/h2-15,17-18,32H,16H2,1H3,(H,31,34).
What are the key properties of 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one?
3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one has a molecular weight of 450.51 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(4-fluorophenyl)-2-methylpropanoyl]-3-phenyl-1H-indol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90872824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).