3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one

C23H19F3N4O — CID 165401265

IUPAC3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2cc3n(n2)CC(c2ccc(C(F)(F)F)cc2)NC3)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H19F3N4O/c1-13-21(28-18-5-3-2-4-17(18)22(13)31)19-10-16-11-27-20(12-30(16)29-19)14-6-8-15(9-7-14)23(24,25)26/h2-10,20,27H,11-12H2,1H3,(H,28,31)
InChIKeyPKLBJTFGYJCORF-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.56
Rot. Bonds2

About 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one

3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one (PubChem CID 165401265) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one
PubChem CID165401265
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2cc3n(n2)CC(c2ccc(C(F)(F)F)cc2)NC3)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H19F3N4O/c1-13-21(28-18-5-3-2-4-17(18)22(13)31)19-10-16-11-27-20(12-30(16)29-19)14-6-8-15(9-7-14)23(24,25)26/h2-10,20,27H,11-12H2,1H3,(H,28,31)
InChIKeyPKLBJTFGYJCORF-UHFFFAOYSA-N
XLogP4.56
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one 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-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one (CID 165401265) is 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one is Cc1c(-c2cc3n(n2)CC(c2ccc(C(F)(F)F)cc2)NC3)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one?
The InChIKey is PKLBJTFGYJCORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-13-21(28-18-5-3-2-4-17(18)22(13)31)19-10-16-11-27-20(12-30(16)29-19)14-6-8-15(9-7-14)23(24,25)26/h2-10,20,27H,11-12H2,1H3,(H,28,31).
What are the key properties of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one?
3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one has a molecular weight of 424.43 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 165401265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).