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

C25H22FN3O3 — CID 3162808

IUPAC8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccc(C2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1OC
InChIInChI=1S/C25H22FN3O3/c1-14-24(15-4-7-18(26)8-5-15)25-27-13-19-20(29(25)28-14)10-17(11-21(19)30)16-6-9-22(31-2)23(12-16)32-3/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyADPUTCZLQJJHFX-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.77
Rot. Bonds4

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

8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 3162808) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID3162808
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccc(C2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1OC
InChIInChI=1S/C25H22FN3O3/c1-14-24(15-4-7-18(26)8-5-15)25-27-13-19-20(29(25)28-14)10-17(11-21(19)30)16-6-9-22(31-2)23(12-16)32-3/h4-9,12-13,17H,10-11H2,1-3H3
InChIKeyADPUTCZLQJJHFX-UHFFFAOYSA-N
XLogP4.77
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,4-Dimethoxyphenyl)-2-(4-ethylpiperazinyl)-6,7,8-trihydroquinazolin-5-one
CID 667302
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4892660
Propan-2-yl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24774930
Methyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 46232194
8-(2-furyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 667097
6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4896838
3-(3,4-diethoxyphenyl)-2,7-dimethyl-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 16026324
3-(3,4-diethoxyphenyl)-2-methyl-7-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 16026330
3-(4-methoxyphenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457439
2-Methoxyethyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24774931
3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylbenzamide
CID 24775012
3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-N,N-diethylbenzamide
CID 24775390

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 3162808) is 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COc1ccc(C2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is ADPUTCZLQJJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-14-24(15-4-7-18(26)8-5-15)25-27-13-19-20(29(25)28-14)10-17(11-21(19)30)16-6-9-22(31-2)23(12-16)32-3/h4-9,12-13,17H,10-11H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 431.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 3162808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).