5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one

C22H29N3O4 — CID 71830829

IUPAC5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCC(=O)N3CCCC(C)C3)c(=O)cc2OC)cc1
InChIInChI=1S/C22H29N3O4/c1-16-6-4-12-24(15-16)20(26)7-5-13-25-21(27)14-19(29-3)22(23-25)17-8-10-18(28-2)11-9-17/h8-11,14,16H,4-7,12-13,15H2,1-3H3
InChIKeySPAJFNQQGZZZGI-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.97
Rot. Bonds7

About 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one

5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one (PubChem CID 71830829) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
PubChem CID71830829
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCOc1ccc(-c2nn(CCCC(=O)N3CCCC(C)C3)c(=O)cc2OC)cc1
InChIInChI=1S/C22H29N3O4/c1-16-6-4-12-24(15-16)20(26)7-5-13-25-21(27)14-19(29-3)22(23-25)17-8-10-18(28-2)11-9-17/h8-11,14,16H,4-7,12-13,15H2,1-3H3
InChIKeySPAJFNQQGZZZGI-UHFFFAOYSA-N
XLogP2.97
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
CID 71830824
5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830838
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
5-methyl-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192106
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 92687613
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 7555816
2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 98701473
8-methoxy-3-[5-(3-methylpiperidin-1-yl)-5-oxopentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
CID 46258078
8-methoxy-3-[6-(3-methylpiperidin-1-yl)-6-oxohexyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
CID 46257701

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one (CID 71830829) is 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one is COc1ccc(-c2nn(CCCC(=O)N3CCCC(C)C3)c(=O)cc2OC)cc1.
What is the InChIKey of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one?
The InChIKey is SPAJFNQQGZZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16-6-4-12-24(15-16)20(26)7-5-13-25-21(27)14-19(29-3)22(23-25)17-8-10-18(28-2)11-9-17/h8-11,14,16H,4-7,12-13,15H2,1-3H3.
What are the key properties of 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one?
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one has a molecular weight of 399.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 71830829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).