4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one

C22H16N4O — CID 90643974

IUPAC4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccncc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C22H16N4O/c1-25-21-14-19(16-5-3-2-4-6-16)24-26(21)20-13-17(7-8-18(20)22(25)27)15-9-11-23-12-10-15/h2-14H,1H3
InChIKeyGPYVWHDCXSHYNA-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.92
Rot. Bonds2

About 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one

4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643974) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643974
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccncc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C22H16N4O/c1-25-21-14-19(16-5-3-2-4-6-16)24-26(21)20-13-17(7-8-18(20)22(25)27)15-9-11-23-12-10-15/h2-14H,1H3
InChIKeyGPYVWHDCXSHYNA-UHFFFAOYSA-N
XLogP3.92
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk 343
CID 71268957
Unc1999
CID 72551585
[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471483
Gpd-1116
CID 9841417
B-Raf IN 1
CID 24884503
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
2,3-Dihydro-1-(5-methyl-1-phenylpyrazol4-yl carbonyl)-8-(4methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 9955522
1-[1-(4-Cyanophenyl)-5-ethylpyrazol-4-ylcarbonyl]-2,3-dihydro-8-(4-methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 9957274
2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 13713270
(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226761
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
[3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118470985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one (CID 90643974) is 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccncc3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is GPYVWHDCXSHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-25-21-14-19(16-5-3-2-4-6-16)24-26(21)20-13-17(7-8-18(20)22(25)27)15-9-11-23-12-10-15/h2-14H,1H3.
What are the key properties of 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 352.40 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-8-pyridin-4-ylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).