1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea

C24H28N6O — CID 43992967

IUPAC1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1C
InChIInChI=1S/C24H28N6O/c1-17-5-4-6-21(18(17)2)26-24(31)25-20-9-7-19(8-10-20)22-11-12-23(28-27-22)30-15-13-29(3)14-16-30/h4-12H,13-16H2,1-3H3,(H2,25,26,31)
InChIKeyBUXVWSHCAJYQHT-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea

1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea (PubChem CID 43992967) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
PubChem CID43992967
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1C
InChIInChI=1S/C24H28N6O/c1-17-5-4-6-21(18(17)2)26-24(31)25-20-9-7-19(8-10-20)22-11-12-23(28-27-22)30-15-13-29(3)14-16-30/h4-12H,13-16H2,1-3H3,(H2,25,26,31)
InChIKeyBUXVWSHCAJYQHT-UHFFFAOYSA-N
XLogP4.16
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea with MolForge

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Related Compounds

1-(furan-2-yl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43992997
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 43992993
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992699
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 43992265
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-chloro-2-methylphenyl)urea
CID 43991436
1-(3-chloro-2-methylphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991842

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea (CID 43992967) is 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea is Cc1cccc(NC(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
The InChIKey is BUXVWSHCAJYQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17-5-4-6-21(18(17)2)26-24(31)25-20-9-7-19(8-10-20)22-11-12-23(28-27-22)30-15-13-29(3)14-16-30/h4-12H,13-16H2,1-3H3,(H2,25,26,31).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea?
1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea has a molecular weight of 416.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]urea is sourced from PubChem (CID 43992967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).