(4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

C20H13FN2O — CID 6983987

IUPAC(4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=NC2=C(C(=O)c3ccccc32)[C@@H](c2ccccc2F)C1C#N
InChIInChI=1S/C20H13FN2O/c1-11-15(10-22)17(14-8-4-5-9-16(14)21)18-19(23-11)12-6-2-3-7-13(12)20(18)24/h2-9,15,17H,1H3/t15?,17-/m0/s1
InChIKeyGHHZBFXAGZRPSG-LWKPJOBUSA-N
MW316.33 g/mol
LogP4.13
Rot. Bonds1

About (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

(4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 6983987) has the molecular formula C20H13FN2O and a molecular weight of 316.33 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID6983987
Molecular FormulaC20H13FN2O
Molecular Weight316.33 g/mol
Exact Mass316.10
IUPAC Name(4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=NC2=C(C(=O)c3ccccc32)[C@@H](c2ccccc2F)C1C#N
InChIInChI=1S/C20H13FN2O/c1-11-15(10-22)17(14-8-4-5-9-16(14)21)18-19(23-11)12-6-2-3-7-13(12)20(18)24/h2-9,15,17H,1H3/t15?,17-/m0/s1
InChIKeyGHHZBFXAGZRPSG-LWKPJOBUSA-N
XLogP4.13
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 6983987) is (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is CC1=NC2=C(C(=O)c3ccccc32)[C@@H](c2ccccc2F)C1C#N.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is GHHZBFXAGZRPSG-LWKPJOBUSA-N. The full InChI is InChI=1S/C20H13FN2O/c1-11-15(10-22)17(14-8-4-5-9-16(14)21)18-19(23-11)12-6-2-3-7-13(12)20(18)24/h2-9,15,17H,1H3/t15?,17-/m0/s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
(4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 316.33 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 6983987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).