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

C26H31N5O3 — CID 10434440

IUPAC5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C26H31N5O3/c1-19(32)23-24(20-9-5-4-6-10-20)28-29(2)26(33)25(23)27-13-14-30-15-17-31(18-16-30)21-11-7-8-12-22(21)34-3/h4-12,27H,13-18H2,1-3H3
InChIKeyLVCOTAHRPAKKNR-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.89
Rot. Bonds8

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

5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 10434440) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID10434440
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C26H31N5O3/c1-19(32)23-24(20-9-5-4-6-10-20)28-29(2)26(33)25(23)27-13-14-30-15-17-31(18-16-30)21-11-7-8-12-22(21)34-3/h4-12,27H,13-18H2,1-3H3
InChIKeyLVCOTAHRPAKKNR-UHFFFAOYSA-N
XLogP2.89
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one (CID 10434440) is 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is LVCOTAHRPAKKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-19(32)23-24(20-9-5-4-6-10-20)28-29(2)26(33)25(23)27-13-14-30-15-17-31(18-16-30)21-11-7-8-12-22(21)34-3/h4-12,27H,13-18H2,1-3H3.
What are the key properties of 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one?
5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 461.57 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10434440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).