1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea

C25H34N6O4 — CID 42833418

IUPAC1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea
SMILESC=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NCCC
InChIInChI=1S/C25H34N6O4/c1-5-11-26-25(33)31(12-6-2)18-24(32)30-15-13-29(14-16-30)23-10-8-20(27-28-23)19-7-9-21(34-3)22(17-19)35-4/h6-10,17H,2,5,11-16,18H2,1,3-4H3,(H,26,33)
InChIKeyBNLSWBDYZDEBRR-UHFFFAOYSA-N
MW482.59 g/mol
LogP2.42
Rot. Bonds10

About 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea

1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea (PubChem CID 42833418) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea.

Molecular Properties

Compound Name1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea
PubChem CID42833418
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC Name1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea
SMILESC=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NCCC
InChIInChI=1S/C25H34N6O4/c1-5-11-26-25(33)31(12-6-2)18-24(32)30-15-13-29(14-16-30)23-10-8-20(27-28-23)19-7-9-21(34-3)22(17-19)35-4/h6-10,17H,2,5,11-16,18H2,1,3-4H3,(H,26,33)
InChIKeyBNLSWBDYZDEBRR-UHFFFAOYSA-N
XLogP2.42
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea
CID 42833419
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylacetamide
CID 46000671
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-ethyl-4-methylbenzamide
CID 46000652
1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-ethyl-1-propan-2-ylurea
CID 46000877
1-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methylpropyl)-3-propylurea
CID 46149015
1-benzyl-1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 46000864
N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42833302
3-tert-butyl-1-cyclopropyl-1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]urea
CID 42833407
4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide
CID 46146792
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-fluoro-N-[(2R)-2-methylbutyl]benzamide
CID 98370603
1-[(4-fluorophenyl)methyl]-1-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-propylurea
CID 42834039
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-propylurea
CID 46001719

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea?
The IUPAC name of 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea (CID 42833418) is 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea.
What is the SMILES notation for 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea?
The canonical SMILES for 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea is C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NCCC.
What is the InChIKey of 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea?
The InChIKey is BNLSWBDYZDEBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-5-11-26-25(33)31(12-6-2)18-24(32)30-15-13-29(14-16-30)23-10-8-20(27-28-23)19-7-9-21(34-3)22(17-19)35-4/h6-10,17H,2,5,11-16,18H2,1,3-4H3,(H,26,33).
What are the key properties of 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea?
1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea has a molecular weight of 482.59 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-3-propylurea is sourced from PubChem (CID 42833418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).