2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline

C23H15F3N4O — CID 141229227

IUPAC2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline
SMILESFC(F)(F)c1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccccn1
InChIInChI=1S/C23H15F3N4O/c24-23(25,26)18-9-3-1-7-15(18)14-31-22-17-13-28-19-10-4-2-8-16(19)21(17)29-30(22)20-11-5-6-12-27-20/h1-13H,14H2
InChIKeyJWHYHDUYECJPRE-UHFFFAOYSA-N
MW420.39 g/mol
LogP5.57
Rot. Bonds4

About 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline

2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline (PubChem CID 141229227) has the molecular formula C23H15F3N4O and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline
PubChem CID141229227
Molecular FormulaC23H15F3N4O
Molecular Weight420.39 g/mol
Exact Mass420.12
IUPAC Name2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline
SMILESFC(F)(F)c1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccccn1
InChIInChI=1S/C23H15F3N4O/c24-23(25,26)18-9-3-1-7-15(18)14-31-22-17-13-28-19-10-4-2-8-16(19)21(17)29-30(22)20-11-5-6-12-27-20/h1-13H,14H2
InChIKeyJWHYHDUYECJPRE-UHFFFAOYSA-N
XLogP5.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10d
CID 24864825
Triazolopyridazine, 10e
CID 24864993
ML347
CID 44577753
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 9798829
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
1-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 16748086
3-Phenyl-6-(pyridin-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11152397

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
The IUPAC name of 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline (CID 141229227) is 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline is FC(F)(F)c1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
The InChIKey is JWHYHDUYECJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O/c24-23(25,26)18-9-3-1-7-15(18)14-31-22-17-13-28-19-10-4-2-8-16(19)21(17)29-30(22)20-11-5-6-12-27-20/h1-13H,14H2.
What are the key properties of 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline has a molecular weight of 420.39 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 141229227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).