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

C22H15FN4O — CID 90643958

IUPAC2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(F)c3)cc12
InChIInChI=1S/C22H15FN4O/c1-26-21-12-19(15-4-2-6-17(23)10-15)25-27(21)20-11-14(7-8-18(20)22(26)28)16-5-3-9-24-13-16/h2-13H,1H3
InChIKeyCUCDJEVVTQFIJG-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.05
Rot. Bonds2

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

2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90643958) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90643958
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(F)c3)cc12
InChIInChI=1S/C22H15FN4O/c1-26-21-12-19(15-4-2-6-17(23)10-15)25-27(21)20-11-14(7-8-18(20)22(26)28)16-5-3-9-24-13-16/h2-13H,1H3
InChIKeyCUCDJEVVTQFIJG-UHFFFAOYSA-N
XLogP4.05
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one (CID 90643958) is 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(F)c3)cc12.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is CUCDJEVVTQFIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c1-26-21-12-19(15-4-2-6-17(23)10-15)25-27(21)20-11-14(7-8-18(20)22(26)28)16-5-3-9-24-13-16/h2-13H,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one?
2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 370.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-8-pyridin-3-ylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90643958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).