5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one

C25H28FN5O2 — CID 10961351

IUPAC5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
InChIKeyDUFHNVVBRSIXJN-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.02
Rot. Bonds7

About 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one

5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 10961351) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID10961351
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
InChIKeyDUFHNVVBRSIXJN-UHFFFAOYSA-N
XLogP3.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 11596587
(5R)-6-[4-({2-[(3-fluorophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647035
6-{4-[(2-Benzyl-3-oxocyclohex-1-en-1-yl)amino]-3-fluorophenyl}-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
CID 23647046
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11134424
3-[4-[[2-[(3-fluorophenyl)methyl]-3-oxocyclohexen-1-yl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 44351948
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CID 4784122
8-[[4-fluoro-3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25117638
6-(4-fluoro-3-(4-(1-(phenylamino)cyclopentanecarbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one
CID 46230373
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-piperidin-1-ylacetamide
CID 142149822
2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 1309824
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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (CID 10961351) is 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is DUFHNVVBRSIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3.
What are the key properties of 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 449.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10961351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).