3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C23H17F3N4O — CID 1101583

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)20-13-17(15-7-2-1-3-8-15)27-21-14-18(28-30(20)21)22(31)29-12-6-10-16-9-4-5-11-19(16)29/h1-5,7-9,11,13-14H,6,10,12H2
InChIKeyNJWOILOOALTRHT-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.01
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 1101583) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID1101583
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)20-13-17(15-7-2-1-3-8-15)27-21-14-18(28-30(20)21)22(31)29-12-6-10-16-9-4-5-11-19(16)29/h1-5,7-9,11,13-14H,6,10,12H2
InChIKeyNJWOILOOALTRHT-UHFFFAOYSA-N
XLogP5.01
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 1101583) is 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is NJWOILOOALTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c24-23(25,26)20-13-17(15-7-2-1-3-8-15)27-21-14-18(28-30(20)21)22(31)29-12-6-10-16-9-4-5-11-19(16)29/h1-5,7-9,11,13-14H,6,10,12H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 422.41 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 1101583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).