8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

C22H16FN5O — CID 72545903

IUPAC8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccc(N)nc3)cc2n2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H16FN5O/c1-27-21-11-18(13-2-6-16(23)7-3-13)26-28(21)19-10-14(4-8-17(19)22(27)29)15-5-9-20(24)25-12-15/h2-12H,1H3,(H2,24,25)
InChIKeyGRYILTSOMGXCOX-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.64
Rot. Bonds2

About 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 72545903) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID72545903
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccc(-c3ccc(N)nc3)cc2n2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C22H16FN5O/c1-27-21-11-18(13-2-6-16(23)7-3-13)26-28(21)19-10-14(4-8-17(19)22(27)29)15-5-9-20(24)25-12-15/h2-12H,1H3,(H2,24,25)
InChIKeyGRYILTSOMGXCOX-UHFFFAOYSA-N
XLogP3.64
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one (CID 72545903) is 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccc(-c3ccc(N)nc3)cc2n2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is GRYILTSOMGXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c1-27-21-11-18(13-2-6-16(23)7-3-13)26-28(21)19-10-14(4-8-17(19)22(27)29)15-5-9-20(24)25-12-15/h2-12H,1H3,(H2,24,25).
What are the key properties of 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one?
8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 385.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 72545903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).