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

C24H17F3N6O — CID 69492306

IUPAC2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline
SMILESFC(F)C(F)n1cc(-c2ccncc2)c(-c2ncc(OCc3ccc4ccccc4n3)cn2)n1
InChIInChI=1S/C24H17F3N6O/c25-22(26)23(27)33-13-19(15-7-9-28-10-8-15)21(32-33)24-29-11-18(12-30-24)34-14-17-6-5-16-3-1-2-4-20(16)31-17/h1-13,22-23H,14H2
InChIKeyVUAKXPBHFNDAQN-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.26
Rot. Bonds7

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

2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline (PubChem CID 69492306) has the molecular formula C24H17F3N6O and a molecular weight of 462.44 g/mol. Its IUPAC name is 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline
PubChem CID69492306
Molecular FormulaC24H17F3N6O
Molecular Weight462.44 g/mol
Exact Mass462.14
IUPAC Name2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline
SMILESFC(F)C(F)n1cc(-c2ccncc2)c(-c2ncc(OCc3ccc4ccccc4n3)cn2)n1
InChIInChI=1S/C24H17F3N6O/c25-22(26)23(27)33-13-19(15-7-9-28-10-8-15)21(32-33)24-29-11-18(12-30-24)34-14-17-6-5-16-3-1-2-4-20(16)31-17/h1-13,22-23H,14H2
InChIKeyVUAKXPBHFNDAQN-UHFFFAOYSA-N
XLogP5.26
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[5-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-2-yl]oxymethyl]quinoline
CID 24830011
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
2-[[6-(1-methyl-4-phenylpyrazol-3-yl)-3-pyridinyl]oxymethyl]quinoline
CID 24830183
2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]ethyl methanesulfonate
CID 58544885
2-[[4-(2-methyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]quinoline
CID 11662225
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-phenyl-3-pyridin-4-yl-5-(quinolin-2-ylmethoxy)benzonitrile
CID 67026359
ethyl 2-[4-pyridin-4-yl-3-[4-(quinolin-2-ylmethoxy)phenyl]pyrazol-1-yl]acetate
CID 167444594
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
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-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline (CID 69492306) is 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline is FC(F)C(F)n1cc(-c2ccncc2)c(-c2ncc(OCc3ccc4ccccc4n3)cn2)n1.
What is the InChIKey of 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline?
The InChIKey is VUAKXPBHFNDAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O/c25-22(26)23(27)33-13-19(15-7-9-28-10-8-15)21(32-33)24-29-11-18(12-30-24)34-14-17-6-5-16-3-1-2-4-20(16)31-17/h1-13,22-23H,14H2.
What are the key properties of 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline?
2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline has a molecular weight of 462.44 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-pyridin-4-yl-1-(1,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-5-yl]oxymethyl]quinoline is sourced from PubChem (CID 69492306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).