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

C21H20FN5O2 — CID 53097562

IUPAC3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1c(C(=O)N3CCN(c4ccccc4F)CC3)cnn21
InChIInChI=1S/C21H20FN5O2/c22-16-4-1-2-5-18(16)25-8-10-26(11-9-25)21(29)15-13-24-27-17-6-3-7-19(28)14(17)12-23-20(15)27/h1-2,4-5,12-13H,3,6-11H2
InChIKeyGZIVQQRYFDSWDH-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.35
Rot. Bonds2

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

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 53097562) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID53097562
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1c(C(=O)N3CCN(c4ccccc4F)CC3)cnn21
InChIInChI=1S/C21H20FN5O2/c22-16-4-1-2-5-18(16)25-8-10-26(11-9-25)21(29)15-13-24-27-17-6-3-7-19(28)14(17)12-23-20(15)27/h1-2,4-5,12-13H,3,6-11H2
InChIKeyGZIVQQRYFDSWDH-UHFFFAOYSA-N
XLogP2.35
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one with MolForge

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
1-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 46364376
[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone
CID 110854620
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 74242568
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 4984521

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 53097562) is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is O=C1CCCc2c1cnc1c(C(=O)N3CCN(c4ccccc4F)CC3)cnn21.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is GZIVQQRYFDSWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-4-1-2-5-18(16)25-8-10-26(11-9-25)21(29)15-13-24-27-17-6-3-7-19(28)14(17)12-23-20(15)27/h1-2,4-5,12-13H,3,6-11H2.
What are the key properties of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 393.42 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 53097562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).