3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile

C24H21F4N3O — CID 166264163

IUPAC3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)C2)c(F)c1
InChIInChI=1S/C24H21F4N3O/c25-21-13-16(14-29)5-6-22(21)31-12-9-18(15-31)23(32)30-10-7-17(8-11-30)19-3-1-2-4-20(19)24(26,27)28/h1-7,13,18H,8-12,15H2
InChIKeyIFQJFWWIDGLEAZ-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.86
Rot. Bonds3

About 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile

3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile (PubChem CID 166264163) has the molecular formula C24H21F4N3O and a molecular weight of 443.44 g/mol. Its IUPAC name is 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile
PubChem CID166264163
Molecular FormulaC24H21F4N3O
Molecular Weight443.44 g/mol
Exact Mass443.16
IUPAC Name3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)C2)c(F)c1
InChIInChI=1S/C24H21F4N3O/c25-21-13-16(14-29)5-6-22(21)31-12-9-18(15-31)23(32)30-10-7-17(8-11-30)19-3-1-2-4-20(19)24(26,27)28/h1-7,13,18H,8-12,15H2
InChIKeyIFQJFWWIDGLEAZ-UHFFFAOYSA-N
XLogP4.86
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile (CID 166264163) is 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile is N#Cc1ccc(N2CCC(C(=O)N3CC=C(c4ccccc4C(F)(F)F)CC3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile?
The InChIKey is IFQJFWWIDGLEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O/c25-21-13-16(14-29)5-6-22(21)31-12-9-18(15-31)23(32)30-10-7-17(8-11-30)19-3-1-2-4-20(19)24(26,27)28/h1-7,13,18H,8-12,15H2.
What are the key properties of 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile?
3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile has a molecular weight of 443.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 166264163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).