2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile

C15H14F3N5 — CID 124850659

IUPAC2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)12-8-21-14(22-12)11-2-1-5-23(9-11)13-6-10(7-19)3-4-20-13/h3-4,6,8,11H,1-2,5,9H2,(H,21,22)/t11-/m0/s1
InChIKeyQWTUNCPRGPKITK-NSHDSACASA-N
MW321.31 g/mol
LogP3.08
Rot. Bonds2

About 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile

2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 124850659) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID124850659
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1
InChIInChI=1S/C15H14F3N5/c16-15(17,18)12-8-21-14(22-12)11-2-1-5-23(9-11)13-6-10(7-19)3-4-20-13/h3-4,6,8,11H,1-2,5,9H2,(H,21,22)/t11-/m0/s1
InChIKeyQWTUNCPRGPKITK-NSHDSACASA-N
XLogP3.08
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-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

1-methyl-5-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pyrrole-3-carbonitrile
CID 128996045
2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 128843965
2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 100670291
2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 128963917
2-fluoro-4-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 100670320
4-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 124889899
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile
CID 133430717
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
3,5-difluoro-4-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133430705
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 146369759

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile (CID 124850659) is 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1.
What is the InChIKey of 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is QWTUNCPRGPKITK-NSHDSACASA-N. The full InChI is InChI=1S/C15H14F3N5/c16-15(17,18)12-8-21-14(22-12)11-2-1-5-23(9-11)13-6-10(7-19)3-4-20-13/h3-4,6,8,11H,1-2,5,9H2,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 321.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 124850659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).