4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile

C25H20F4N4O — CID 155343860

IUPAC4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1(Cc2ccc(F)cc2C(F)(F)F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1
InChIInChI=1S/C25H20F4N4O/c26-19-4-3-18(21(14-19)25(27,28)29)15-24(16-30)7-12-33(13-8-24)23(34)20-2-1-9-32-22(20)17-5-10-31-11-6-17/h1-6,9-11,14H,7-8,12-13,15H2
InChIKeyWTODAURXVRFDRL-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.29
Rot. Bonds4

About 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile

4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (PubChem CID 155343860) has the molecular formula C25H20F4N4O and a molecular weight of 468.45 g/mol. Its IUPAC name is 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
PubChem CID155343860
Molecular FormulaC25H20F4N4O
Molecular Weight468.45 g/mol
Exact Mass468.16
IUPAC Name4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1(Cc2ccc(F)cc2C(F)(F)F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1
InChIInChI=1S/C25H20F4N4O/c26-19-4-3-18(21(14-19)25(27,28)29)15-24(16-30)7-12-33(13-8-24)23(34)20-2-1-9-32-22(20)17-5-10-31-11-6-17/h1-6,9-11,14H,7-8,12-13,15H2
InChIKeyWTODAURXVRFDRL-UHFFFAOYSA-N
XLogP5.29
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2,6-difluoro-4-methylphenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 167560608
[4-[(2,4-difluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 71547643
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile
CID 155344042
4-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343890
[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 123415741
4-[(4-methylphenyl)methyl]-1-(2-pyridin-3-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 167602066
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155344140
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile
CID 155343852
[4-[(3-chloropyrazin-2-yl)methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385786
1-(bromomethyl)-4-(trifluoromethoxy)benzene;methane;piperidine-4-carbonitrile;1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile;1-(2-pyridin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile;2-pyridin-4-ylpyridine-3-carboxylic acid
CID 167704696
4-[(4-chloro-2-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile
CID 167581350
4-(cyclopropylmethyl)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155344075

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile (CID 155343860) is 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is N#CC1(Cc2ccc(F)cc2C(F)(F)F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1.
What is the InChIKey of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
The InChIKey is WTODAURXVRFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O/c26-19-4-3-18(21(14-19)25(27,28)29)15-24(16-30)7-12-33(13-8-24)23(34)20-2-1-9-32-22(20)17-5-10-31-11-6-17/h1-6,9-11,14H,7-8,12-13,15H2.
What are the key properties of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile?
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile has a molecular weight of 468.45 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 155343860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).