2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine

C19H18F4N6O — CID 154853753

IUPAC2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cnc(OC3CCN(c4ncc(C(F)(F)F)cc4F)CC3)nc2)cn1
InChIInChI=1S/C19H18F4N6O/c1-28-11-13(9-27-28)12-7-25-18(26-8-12)30-15-2-4-29(5-3-15)17-16(20)6-14(10-24-17)19(21,22)23/h6-11,15H,2-5H2,1H3
InChIKeyRJVHXKXEPLTTFD-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.48
Rot. Bonds4

About 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine

2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 154853753) has the molecular formula C19H18F4N6O and a molecular weight of 422.39 g/mol. Its IUPAC name is 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID154853753
Molecular FormulaC19H18F4N6O
Molecular Weight422.39 g/mol
Exact Mass422.15
IUPAC Name2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cnc(OC3CCN(c4ncc(C(F)(F)F)cc4F)CC3)nc2)cn1
InChIInChI=1S/C19H18F4N6O/c1-28-11-13(9-27-28)12-7-25-18(26-8-12)30-15-2-4-29(5-3-15)17-16(20)6-14(10-24-17)19(21,22)23/h6-11,15H,2-5H2,1H3
InChIKeyRJVHXKXEPLTTFD-UHFFFAOYSA-N
XLogP3.48
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine with MolForge

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Related Compounds

5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole
CID 154853735
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154830090
2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline
CID 154883270
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165431893
4-ethyl-5-fluoro-6-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 154582809
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine (CID 154853753) is 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cnc(OC3CCN(c4ncc(C(F)(F)F)cc4F)CC3)nc2)cn1.
What is the InChIKey of 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is RJVHXKXEPLTTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O/c1-28-11-13(9-27-28)12-7-25-18(26-8-12)30-15-2-4-29(5-3-15)17-16(20)6-14(10-24-17)19(21,22)23/h6-11,15H,2-5H2,1H3.
What are the key properties of 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine?
2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 422.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 154853753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).