(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C24H20FN3O — CID 40769140

IUPAC(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1
InChIInChI=1S/C24H20FN3O/c1-14-3-5-16(6-4-14)18-11-21-20(22(29)12-18)13-26-24-23(15(2)27-28(21)24)17-7-9-19(25)10-8-17/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyRYFCCZKOTJIDDC-SFHVURJKSA-N
MW385.44 g/mol
LogP5.06
Rot. Bonds2

About (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 40769140) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID40769140
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1
InChIInChI=1S/C24H20FN3O/c1-14-3-5-16(6-4-14)18-11-21-20(22(29)12-18)13-26-24-23(15(2)27-28(21)24)17-7-9-19(25)10-8-17/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyRYFCCZKOTJIDDC-SFHVURJKSA-N
XLogP5.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-8-(3,5-difluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17079206
3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506053
(8S)-2-methyl-8-(2-methylphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769132
3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 3160991
3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 4970099
(8R)-3-(4-fluorophenyl)-8-(2-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 26182796
3-acetyl-8-(4-chlorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506049
(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 26182804
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733
8-(4-methylphenyl)-2-propyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506081
8-(4-fluorophenyl)-2-pyridin-3-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505847

Frequently Asked Questions

What is the IUPAC name of (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 40769140) is (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1.
What is the InChIKey of (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is RYFCCZKOTJIDDC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-14-3-5-16(6-4-14)18-11-21-20(22(29)12-18)13-26-24-23(15(2)27-28(21)24)17-7-9-19(25)10-8-17/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 385.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 40769140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).