4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one

C22H16N4O — CID 90643956

IUPAC4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C22H16N4O/c1-25-21-13-19(15-6-3-2-4-7-15)24-26(21)20-12-16(9-10-18(20)22(25)27)17-8-5-11-23-14-17/h2-14H,1H3
InChIKeyXGVWMRQNKQBTJA-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.92
Rot. Bonds2

About 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one

4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643956) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643956
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12
InChIInChI=1S/C22H16N4O/c1-25-21-13-19(15-6-3-2-4-7-15)24-26(21)20-12-16(9-10-18(20)22(25)27)17-8-5-11-23-14-17/h2-14H,1H3
InChIKeyXGVWMRQNKQBTJA-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (CID 90643956) is 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is XGVWMRQNKQBTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-25-21-13-19(15-6-3-2-4-7-15)24-26(21)20-12-16(9-10-18(20)22(25)27)17-8-5-11-23-14-17/h2-14H,1H3.
What are the key properties of 4-methyl-2-phenyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
4-methyl-2-phenyl-8-pyridin-3-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-3-ylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).