4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one

C27H33N5O3 — CID 10005161

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one
SMILESCCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
InChIKeyWWXDGSCJMHTQQR-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.28
Rot. Bonds9

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one (PubChem CID 10005161) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one
PubChem CID10005161
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one
SMILESCCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
InChIKeyWWXDGSCJMHTQQR-UHFFFAOYSA-N
XLogP3.28
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one with MolForge

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Related Compounds

GR-103691
CID 4302960
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10916771
4-{2-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10928520
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10949698
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10994812
5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11092254
4-Acetyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
CID 11761374

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one (CID 10005161) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one is CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one?
The InChIKey is WWXDGSCJMHTQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one has a molecular weight of 475.59 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenyl-5-propanoylpyridazin-3-one is sourced from PubChem (CID 10005161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).