6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one

C26H29FN4O4 — CID 16885349

IUPAC6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC
InChIInChI=1S/C26H29FN4O4/c1-34-23-11-5-19(18-24(23)35-2)22-10-12-26(33)31(28-22)13-3-4-25(32)30-16-14-29(15-17-30)21-8-6-20(27)7-9-21/h5-12,18H,3-4,13-17H2,1-2H3
InChIKeyJNWIKQJAJQNSLZ-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.20
Rot. Bonds8

About 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one (PubChem CID 16885349) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one
PubChem CID16885349
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC
InChIInChI=1S/C26H29FN4O4/c1-34-23-11-5-19(18-24(23)35-2)22-10-12-26(33)31(28-22)13-3-4-25(32)30-16-14-29(15-17-30)21-8-6-20(27)7-9-21/h5-12,18H,3-4,13-17H2,1-2H3
InChIKeyJNWIKQJAJQNSLZ-UHFFFAOYSA-N
XLogP3.20
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 16885193
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
CID 16885771
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884417
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenylpyridazin-3-one
CID 16884528
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406
N-(3-chloro-4-methylphenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885434
N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135868751
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
2-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 121050754

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one (CID 16885349) is 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one?
The InChIKey is JNWIKQJAJQNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-34-23-11-5-19(18-24(23)35-2)22-10-12-26(33)31(28-22)13-3-4-25(32)30-16-14-29(15-17-30)21-8-6-20(27)7-9-21/h5-12,18H,3-4,13-17H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one has a molecular weight of 480.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 16885349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).