2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one

C24H29N5O3 — CID 69162233

IUPAC2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2N)c1=O
InChIInChI=1S/C24H29N5O3/c1-4-27(2)23-16-21(17-6-5-7-19(14-17)31-3)26-29(24(23)30)22-15-18(8-9-20(22)25)28-10-12-32-13-11-28/h5-9,14-16H,4,10-13,25H2,1-3H3
InChIKeyPZVCCZKNBSRQFL-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one

2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 69162233) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
PubChem CID69162233
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2N)c1=O
InChIInChI=1S/C24H29N5O3/c1-4-27(2)23-16-21(17-6-5-7-19(14-17)31-3)26-29(24(23)30)22-15-18(8-9-20(22)25)28-10-12-32-13-11-28/h5-9,14-16H,4,10-13,25H2,1-3H3
InChIKeyPZVCCZKNBSRQFL-UHFFFAOYSA-N
XLogP2.78
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one
CID 69161665
2-[[6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazin-4-yl]-methylamino]acetic acid
CID 69161797
4-[3-hydroxypropyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69161417
2-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69162237
4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-[5-(4-methyl-3-oxopiperazin-1-yl)-2-nitrophenyl]pyridazin-3-one
CID 69160542
2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69160001
2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
CID 89246678
ethane;4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methylphenyl)pyridazin-3-one;formaldehyde;methoxymethane
CID 143462893
6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-4-(2-phenylethyl)pyridazin-3-one
CID 69180398
4-(tert-butylamino)-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69160744
4-ethyl-6-(3-methoxyphenyl)-5-methyl-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69160217
2-methylpropyl 6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 69161261

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one (CID 69162233) is 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one is CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2N)c1=O.
What is the InChIKey of 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
The InChIKey is PZVCCZKNBSRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-27(2)23-16-21(17-6-5-7-19(14-17)31-3)26-29(24(23)30)22-15-18(8-9-20(22)25)28-10-12-32-13-11-28/h5-9,14-16H,4,10-13,25H2,1-3H3.
What are the key properties of 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 435.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 69162233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).