(4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one

C21H16FNO2 — CID 6955336

IUPAC(4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H16FNO2/c1-11-17(12(2)24)18(13-7-9-14(22)10-8-13)19-20(23-11)15-5-3-4-6-16(15)21(19)25/h3-10,17-18H,1-2H3/t17?,18-/m1/s1
InChIKeyVFJDPLNPLBWSAI-QRWMCTBCSA-N
MW333.36 g/mol
LogP4.20
Rot. Bonds2

About (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one

(4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 6955336) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name(4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID6955336
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C21H16FNO2/c1-11-17(12(2)24)18(13-7-9-14(22)10-8-13)19-20(23-11)15-5-3-4-6-16(15)21(19)25/h3-10,17-18H,1-2H3/t17?,18-/m1/s1
InChIKeyVFJDPLNPLBWSAI-QRWMCTBCSA-N
XLogP4.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one (CID 6955336) is (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one is CC(=O)C1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is VFJDPLNPLBWSAI-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-11-17(12(2)24)18(13-7-9-14(22)10-8-13)19-20(23-11)15-5-3-4-6-16(15)21(19)25/h3-10,17-18H,1-2H3/t17?,18-/m1/s1.
What are the key properties of (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
(4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 333.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-4-(4-fluorophenyl)-2-methyl-3,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 6955336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).