4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one

C24H20FN5O2 — CID 171630631

IUPAC4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one
SMILESO=C(c1nn(-c2ccncc2)c(=O)c2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H20FN5O2/c25-20-7-3-4-8-21(20)28-13-15-29(16-14-28)24(32)22-18-5-1-2-6-19(18)23(31)30(27-22)17-9-11-26-12-10-17/h1-12H,13-16H2
InChIKeyGELYHIXIRZPKOR-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.88
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one (PubChem CID 171630631) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one
PubChem CID171630631
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one
SMILESO=C(c1nn(-c2ccncc2)c(=O)c2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H20FN5O2/c25-20-7-3-4-8-21(20)28-13-15-29(16-14-28)24(32)22-18-5-1-2-6-19(18)23(31)30(27-22)17-9-11-26-12-10-17/h1-12H,13-16H2
InChIKeyGELYHIXIRZPKOR-UHFFFAOYSA-N
XLogP2.88
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 15915779
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
4-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55905546
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one (CID 171630631) is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one is O=C(c1nn(-c2ccncc2)c(=O)c2ccccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one?
The InChIKey is GELYHIXIRZPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-20-7-3-4-8-21(20)28-13-15-29(16-14-28)24(32)22-18-5-1-2-6-19(18)23(31)30(27-22)17-9-11-26-12-10-17/h1-12H,13-16H2.
What are the key properties of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one?
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one has a molecular weight of 429.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one is sourced from PubChem (CID 171630631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).