2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

C18H18F3N7 — CID 133321105

IUPAC2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCCC(Cn3cncn3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18F3N7/c19-18(20,21)15-8-16(26-17(25-15)14-3-5-22-6-4-14)27-7-1-2-13(9-27)10-28-12-23-11-24-28/h3-6,8,11-13H,1-2,7,9-10H2
InChIKeyFCJPNXHOUJQHTL-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.07
Rot. Bonds4

About 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 133321105) has the molecular formula C18H18F3N7 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID133321105
Molecular FormulaC18H18F3N7
Molecular Weight389.39 g/mol
Exact Mass389.16
IUPAC Name2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCCC(Cn3cncn3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18F3N7/c19-18(20,21)15-8-16(26-17(25-15)14-3-5-22-6-4-14)27-7-1-2-13(9-27)10-28-12-23-11-24-28/h3-6,8,11-13H,1-2,7,9-10H2
InChIKeyFCJPNXHOUJQHTL-UHFFFAOYSA-N
XLogP3.07
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 133318191
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133363780
4-ethyl-2-pyridin-2-yl-6-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95300952
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6-ethyl-2-pyridin-4-ylpyrimidine
CID 133295012
5-fluoro-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 133321116
1,1-dimethyl-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]urea
CID 167820590
2-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322882
3-phenyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133293780
4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133329913
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133458800
3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine
CID 124851075

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 133321105) is 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(N2CCCC(Cn3cncn3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is FCJPNXHOUJQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7/c19-18(20,21)15-8-16(26-17(25-15)14-3-5-22-6-4-14)27-7-1-2-13(9-27)10-28-12-23-11-24-28/h3-6,8,11-13H,1-2,7,9-10H2.
What are the key properties of 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 389.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133321105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).