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

C28H35N5O3 — CID 10074286

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
InChIKeyKSGSACNIXHZDNP-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.53
Rot. Bonds9

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

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one (PubChem CID 10074286) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one
PubChem CID10074286
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
InChIKeyKSGSACNIXHZDNP-UHFFFAOYSA-N
XLogP3.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-acetyl-4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-6-phenylpyridazin-3-one
CID 11092254
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-3,5-dimethyl-2-phenylchromen-4-one
CID 67714753
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
2-tert-butyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726392
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
CID 98040637
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
N'-(2-ethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268863
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one (CID 10074286) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one is COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one?
The InChIKey is KSGSACNIXHZDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methyl-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one has a molecular weight of 489.62 g/mol, XLogP of 3.53, 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-5-(2-methylpropanoyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 10074286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).