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

C24H18Cl2FN5O3 — CID 46238738

IUPAC1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
SMILESCCn1nc(-c2cccc(-c3cc(F)ccc3O)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
InChIInChI=1S/C24H18Cl2FN5O3/c1-2-32-23(34)20(29-24(35)30-22-17(25)11-28-12-18(22)26)10-19(31-32)14-5-3-4-13(8-14)16-9-15(27)6-7-21(16)33/h3-12,33H,2H2,1H3,(H2,28,29,30,35)
InChIKeyRDAPYLOKBXCWDC-UHFFFAOYSA-N
MW514.34 g/mol
LogP5.79
Rot. Bonds5

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

1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea (PubChem CID 46238738) has the molecular formula C24H18Cl2FN5O3 and a molecular weight of 514.34 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
PubChem CID46238738
Molecular FormulaC24H18Cl2FN5O3
Molecular Weight514.34 g/mol
Exact Mass513.08
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
SMILESCCn1nc(-c2cccc(-c3cc(F)ccc3O)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
InChIInChI=1S/C24H18Cl2FN5O3/c1-2-32-23(34)20(29-24(35)30-22-17(25)11-28-12-18(22)26)10-19(31-32)14-5-3-4-13(8-14)16-9-15(27)6-7-21(16)33/h3-12,33H,2H2,1H3,(H2,28,29,30,35)
InChIKeyRDAPYLOKBXCWDC-UHFFFAOYSA-N
XLogP5.79
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.34
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea (CID 46238738) is 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea is CCn1nc(-c2cccc(-c3cc(F)ccc3O)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
The InChIKey is RDAPYLOKBXCWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN5O3/c1-2-32-23(34)20(29-24(35)30-22-17(25)11-28-12-18(22)26)10-19(31-32)14-5-3-4-13(8-14)16-9-15(27)6-7-21(16)33/h3-12,33H,2H2,1H3,(H2,28,29,30,35).
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea has a molecular weight of 514.34 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-[3-(5-fluoro-2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea is sourced from PubChem (CID 46238738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).