1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea

C23H21N5O4 — CID 122307713

IUPAC1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc(OC)c1
InChIInChI=1S/C23H21N5O4/c1-30-19-13-17(14-20(15-19)31-2)25-23(29)24-16-5-7-18(8-6-16)32-22-10-9-21(26-27-22)28-11-3-4-12-28/h3-15H,1-2H3,(H2,24,25,29)
InChIKeyBBAGJVQQUMSDKL-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.72
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea

1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 122307713) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
PubChem CID122307713
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCOc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc(OC)c1
InChIInChI=1S/C23H21N5O4/c1-30-19-13-17(14-20(15-19)31-2)25-23(29)24-16-5-7-18(8-6-16)32-22-10-9-21(26-27-22)28-11-3-4-12-28/h3-15H,1-2H3,(H2,24,25,29)
InChIKeyBBAGJVQQUMSDKL-UHFFFAOYSA-N
XLogP4.72
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307737
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307863
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea (CID 122307713) is 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea is COc1cc(NC(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is BBAGJVQQUMSDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-30-19-13-17(14-20(15-19)31-2)25-23(29)24-16-5-7-18(8-6-16)32-22-10-9-21(26-27-22)28-11-3-4-12-28/h3-15H,1-2H3,(H2,24,25,29).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea?
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 431.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 122307713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).