2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine

C26H27F3N6O — CID 174650503

IUPAC2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
SMILESCc1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)nn1Cc1ccnc(N2CCC(C)CC2)c1
InChIInChI=1S/C26H27F3N6O/c1-18-8-11-33(12-9-18)25-14-20(7-10-30-25)15-35-19(2)13-23(32-35)24-16-34(17-31-24)21-3-5-22(6-4-21)36-26(27,28)29/h3-7,10,13-14,16-18H,8-9,11-12,15H2,1-2H3
InChIKeyGSGAUPLRHVJIQW-UHFFFAOYSA-N
MW496.54 g/mol
LogP5.62
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine

2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine (PubChem CID 174650503) has the molecular formula C26H27F3N6O and a molecular weight of 496.54 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
PubChem CID174650503
Molecular FormulaC26H27F3N6O
Molecular Weight496.54 g/mol
Exact Mass496.22
IUPAC Name2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
SMILESCc1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)nn1Cc1ccnc(N2CCC(C)CC2)c1
InChIInChI=1S/C26H27F3N6O/c1-18-8-11-33(12-9-18)25-14-20(7-10-30-25)15-35-19(2)13-23(32-35)24-16-34(17-31-24)21-3-5-22(6-4-21)36-26(27,28)29/h3-7,10,13-14,16-18H,8-9,11-12,15H2,1-2H3
InChIKeyGSGAUPLRHVJIQW-UHFFFAOYSA-N
XLogP5.62
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-iodo-5-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
CID 174638283
5-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 87377335
1-[4-[[3-[(Z)-2-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]-2-pyridinyl]piperazine
CID 71235288
1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol
CID 91453494
1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
CID 134813656
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
3-[4-(1,1-difluoroprop-2-enoxy)phenyl]-5-[1-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-1,2,4-oxadiazole
CID 90870480
5-[1-[[2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 58538797
5-[4-(1,1-difluoroethoxy)phenyl]-3-[5-methyl-1-[[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]methyl]-1,2,4-triazol-3-yl]-1,2-oxazole
CID 118039395
2-tert-butyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 67380338
2-[2-hydroxyethyl-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethanol
CID 58538602
N'-methoxy-N-[[5-methyl-1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,2,4-triazol-3-yl]methylidene]-4-(trifluoromethoxy)benzenecarboximidamide
CID 135231617

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine (CID 174650503) is 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine is Cc1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)cn2)nn1Cc1ccnc(N2CCC(C)CC2)c1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine?
The InChIKey is GSGAUPLRHVJIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O/c1-18-8-11-33(12-9-18)25-14-20(7-10-30-25)15-35-19(2)13-23(32-35)24-16-34(17-31-24)21-3-5-22(6-4-21)36-26(27,28)29/h3-7,10,13-14,16-18H,8-9,11-12,15H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine?
2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine has a molecular weight of 496.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 174650503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).