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

C16H16F3N5 — CID 128977569

IUPAC5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C16H16F3N5/c1-23-10-14(16(17,18)19)22-15(23)11-3-2-6-24(9-11)13-5-4-12(7-20)21-8-13/h4-5,8,10-11H,2-3,6,9H2,1H3
InChIKeyWRUHRJABDGYBRZ-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.09
Rot. Bonds2

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

5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 128977569) has the molecular formula C16H16F3N5 and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID128977569
Molecular FormulaC16H16F3N5
Molecular Weight335.33 g/mol
Exact Mass335.14
IUPAC Name5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C16H16F3N5/c1-23-10-14(16(17,18)19)22-15(23)11-3-2-6-24(9-11)13-5-4-12(7-20)21-8-13/h4-5,8,10-11H,2-3,6,9H2,1H3
InChIKeyWRUHRJABDGYBRZ-UHFFFAOYSA-N
XLogP3.09
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
5-[(3S)-3-(azepan-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 97120528
5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351271
8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 128977583
5-[3-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490405
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
5-(3-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 133395003
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile (CID 128977569) is 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile is Cn1cc(C(F)(F)F)nc1C1CCCN(c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is WRUHRJABDGYBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5/c1-23-10-14(16(17,18)19)22-15(23)11-3-2-6-24(9-11)13-5-4-12(7-20)21-8-13/h4-5,8,10-11H,2-3,6,9H2,1H3.
What are the key properties of 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 335.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 128977569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).