1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea

C17H13BrCl2N6O2 — CID 67548573

IUPAC1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea
SMILESCCn1nc(-c2cncc(Br)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
InChIInChI=1S/C17H13BrCl2N6O2/c1-2-26-16(27)14(4-13(25-26)9-3-10(18)6-21-5-9)23-17(28)24-15-11(19)7-22-8-12(15)20/h3-8H,2H2,1H3,(H2,22,23,24,28)
InChIKeyIUCBJMGUKXHYEO-UHFFFAOYSA-N
MW484.14 g/mol
LogP4.43
Rot. Bonds4

About 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea

1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea (PubChem CID 67548573) has the molecular formula C17H13BrCl2N6O2 and a molecular weight of 484.14 g/mol. Its IUPAC name is 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea
PubChem CID67548573
Molecular FormulaC17H13BrCl2N6O2
Molecular Weight484.14 g/mol
Exact Mass481.97
IUPAC Name1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea
SMILESCCn1nc(-c2cncc(Br)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
InChIInChI=1S/C17H13BrCl2N6O2/c1-2-26-16(27)14(4-13(25-26)9-3-10(18)6-21-5-9)23-17(28)24-15-11(19)7-22-8-12(15)20/h3-8H,2H2,1H3,(H2,22,23,24,28)
InChIKeyIUCBJMGUKXHYEO-UHFFFAOYSA-N
XLogP4.43
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.14
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)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-dichloro-4-pyridinyl)-3-[2-ethyl-6-(3-methoxyphenyl)-3-oxopyridazin-4-yl]urea
CID 67548127
ethyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]benzoate
CID 46238682
1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
CID 46238738
methyl 5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-2-fluorobenzoate
CID 46238652
methyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-4-methoxybenzoate
CID 46238661
3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[3-(dimethylamino)propyl]benzamide
CID 46238637
1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-3-oxo-6-[3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]phenyl]pyridazin-4-yl]urea
CID 46238723
3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[2-[2-hydroxyethyl(methyl)amino]ethyl]benzamide
CID 67548853
ethyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-5-(trifluoromethoxy)benzoate
CID 67549047
4-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 46238643
5-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-1-N,3-N-bis(3-imidazol-1-ylpropyl)benzene-1,3-dicarboxamide
CID 67549458
2-[4-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]phenyl]-N-[2-[1-(dimethylamino)cyclopentyl]ethyl]acetamide
CID 67588581

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea?
The IUPAC name of 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea (CID 67548573) is 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea.
What is the SMILES notation for 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea?
The canonical SMILES for 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea is CCn1nc(-c2cncc(Br)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O.
What is the InChIKey of 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea?
The InChIKey is IUCBJMGUKXHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N6O2/c1-2-26-16(27)14(4-13(25-26)9-3-10(18)6-21-5-9)23-17(28)24-15-11(19)7-22-8-12(15)20/h3-8H,2H2,1H3,(H2,22,23,24,28).
What are the key properties of 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea?
1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea has a molecular weight of 484.14 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-bromo-3-pyridinyl)-2-ethyl-3-oxopyridazin-4-yl]-3-(3,5-dichloro-4-pyridinyl)urea is sourced from PubChem (CID 67548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).