(4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone

C23H19FN2O — CID 2348971

IUPAC(4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone
SMILESCc1c(C(=O)c2ccc(F)cc2)c2ccccn2c1CCc1ccccn1
InChIInChI=1S/C23H19FN2O/c1-16-20(13-12-19-6-2-4-14-25-19)26-15-5-3-7-21(26)22(16)23(27)17-8-10-18(24)11-9-17/h2-11,14-15H,12-13H2,1H3
InChIKeyPQNVIVZGEIULFM-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.80
Rot. Bonds5

About (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone

(4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone (PubChem CID 2348971) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone
PubChem CID2348971
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name(4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone
SMILESCc1c(C(=O)c2ccc(F)cc2)c2ccccn2c1CCc1ccccn1
InChIInChI=1S/C23H19FN2O/c1-16-20(13-12-19-6-2-4-14-25-19)26-15-5-3-7-21(26)22(16)23(27)17-8-10-18(24)11-9-17/h2-11,14-15H,12-13H2,1H3
InChIKeyPQNVIVZGEIULFM-UHFFFAOYSA-N
XLogP4.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone (CID 2348971) is (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone is Cc1c(C(=O)c2ccc(F)cc2)c2ccccn2c1CCc1ccccn1.
What is the InChIKey of (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone?
The InChIKey is PQNVIVZGEIULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-16-20(13-12-19-6-2-4-14-25-19)26-15-5-3-7-21(26)22(16)23(27)17-8-10-18(24)11-9-17/h2-11,14-15H,12-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone?
(4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone has a molecular weight of 358.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-methyl-3-(2-pyridin-2-ylethyl)indolizin-1-yl]methanone is sourced from PubChem (CID 2348971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).