2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline

C24H17F3N6O — CID 24830011

IUPAC2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline
SMILESFC(F)(F)Cn1cc(-c2ccncc2)c(-c2cnc(OCc3ccc4ccccc4n3)nc2)n1
InChIInChI=1S/C24H17F3N6O/c25-24(26,27)15-33-13-20(16-7-9-28-10-8-16)22(32-33)18-11-29-23(30-12-18)34-14-19-6-5-17-3-1-2-4-21(17)31-19/h1-13H,14-15H2
InChIKeyCRXHXTLNFVTUPP-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.09
Rot. Bonds6

About 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline

2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline (PubChem CID 24830011) has the molecular formula C24H17F3N6O and a molecular weight of 462.44 g/mol. Its IUPAC name is 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline
PubChem CID24830011
Molecular FormulaC24H17F3N6O
Molecular Weight462.44 g/mol
Exact Mass462.14
IUPAC Name2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline
SMILESFC(F)(F)Cn1cc(-c2ccncc2)c(-c2cnc(OCc3ccc4ccccc4n3)nc2)n1
InChIInChI=1S/C24H17F3N6O/c25-24(26,27)15-33-13-20(16-7-9-28-10-8-16)22(32-33)18-11-29-23(30-12-18)34-14-19-6-5-17-3-1-2-4-21(17)31-19/h1-13H,14-15H2
InChIKeyCRXHXTLNFVTUPP-UHFFFAOYSA-N
XLogP5.09
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline with MolForge

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Related Compounds

2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594
2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline
CID 69492306
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
2-methylbenzene-1,3-dicarboxylic acid;1-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]propan-2-ol
CID 174661108
7-chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydron;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;chloride
CID 69225611
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
CID 11603302
2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline
CID 24830183
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline (CID 24830011) is 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline is FC(F)(F)Cn1cc(-c2ccncc2)c(-c2cnc(OCc3ccc4ccccc4n3)nc2)n1.
What is the InChIKey of 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline?
The InChIKey is CRXHXTLNFVTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O/c25-24(26,27)15-33-13-20(16-7-9-28-10-8-16)22(32-33)18-11-29-23(30-12-18)34-14-19-6-5-17-3-1-2-4-21(17)31-19/h1-13H,14-15H2.
What are the key properties of 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline?
2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline has a molecular weight of 462.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline is sourced from PubChem (CID 24830011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).