2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline

C25H24F3N5O2 — CID 175737723

IUPAC2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline
SMILESFC(F)(F)Cn1cc(-c2ccc3ccc(Oc4cn(C5CC5)nc4C4CCOCC4)nc3c2)cn1
InChIInChI=1S/C25H24F3N5O2/c26-25(27,28)15-32-13-19(12-29-32)18-2-1-16-3-6-23(30-21(16)11-18)35-22-14-33(20-4-5-20)31-24(22)17-7-9-34-10-8-17/h1-3,6,11-14,17,20H,4-5,7-10,15H2
InChIKeyDKNVKZXZYHLHNW-UHFFFAOYSA-N
MW483.49 g/mol
LogP5.88
Rot. Bonds6

About 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline

2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline (PubChem CID 175737723) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline
PubChem CID175737723
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline
SMILESFC(F)(F)Cn1cc(-c2ccc3ccc(Oc4cn(C5CC5)nc4C4CCOCC4)nc3c2)cn1
InChIInChI=1S/C25H24F3N5O2/c26-25(27,28)15-32-13-19(12-29-32)18-2-1-16-3-6-23(30-21(16)11-18)35-22-14-33(20-4-5-20)31-24(22)17-7-9-34-10-8-17/h1-3,6,11-14,17,20H,4-5,7-10,15H2
InChIKeyDKNVKZXZYHLHNW-UHFFFAOYSA-N
XLogP5.88
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)quinoline
CID 175737761
2-[4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 172677123
2-(1-cyclobutylpyrazol-4-yl)-7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridine
CID 156552887
7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-[1-(4-fluorophenyl)pyrazol-4-yl]thieno[3,2-b]pyridine
CID 156552878
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171767737
2-(difluoromethoxy)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]aniline
CID 171384969
2-[7-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxythieno[3,2-b]pyridin-2-yl]prop-2-en-1-imine
CID 156553638
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol
CID 163594460
2-[4-[7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343247
[2-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 164885241

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline?
The IUPAC name of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline (CID 175737723) is 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline.
What is the SMILES notation for 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline?
The canonical SMILES for 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline is FC(F)(F)Cn1cc(-c2ccc3ccc(Oc4cn(C5CC5)nc4C4CCOCC4)nc3c2)cn1.
What is the InChIKey of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline?
The InChIKey is DKNVKZXZYHLHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c26-25(27,28)15-32-13-19(12-29-32)18-2-1-16-3-6-23(30-21(16)11-18)35-22-14-33(20-4-5-20)31-24(22)17-7-9-34-10-8-17/h1-3,6,11-14,17,20H,4-5,7-10,15H2.
What are the key properties of 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline?
2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline has a molecular weight of 483.49 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinoline is sourced from PubChem (CID 175737723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).