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

C48H36Cl4N10O6 — CID 91300923

IUPAC1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
SMILESCCn1nc(-c2cccc(-c3ccc(O)cc3)c2)cc(NC(=O)N(c2c(Cl)cncc2Cl)N(C(=O)Nc2cc(-c3cccc(-c4ccccc4O)c3)nn(CC)c2=O)c2c(Cl)cncc2Cl)c1=O
InChIInChI=1S/C48H36Cl4N10O6/c1-3-59-45(65)40(21-38(57-59)30-11-7-9-28(19-30)27-15-17-32(63)18-16-27)55-47(67)61(43-34(49)23-53-24-35(43)50)62(44-36(51)25-54-26-37(44)52)48(68)56-41-22-39(58-60(4-2)46(41)66)31-12-8-10-29(20-31)33-13-5-6-14-42(33)64/h5-26,63-64H,3-4H2,1-2H3,(H,55,67)(H,56,68)
InChIKeyFDTKFAJCTMKJRA-UHFFFAOYSA-N
MW990.69 g/mol
LogP11.01
Rot. Bonds10

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

1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea (PubChem CID 91300923) has the molecular formula C48H36Cl4N10O6 and a molecular weight of 990.69 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
PubChem CID91300923
Molecular FormulaC48H36Cl4N10O6
Molecular Weight990.69 g/mol
Exact Mass988.16
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea
SMILESCCn1nc(-c2cccc(-c3ccc(O)cc3)c2)cc(NC(=O)N(c2c(Cl)cncc2Cl)N(C(=O)Nc2cc(-c3cccc(-c4ccccc4O)c3)nn(CC)c2=O)c2c(Cl)cncc2Cl)c1=O
InChIInChI=1S/C48H36Cl4N10O6/c1-3-59-45(65)40(21-38(57-59)30-11-7-9-28(19-30)27-15-17-32(63)18-16-27)55-47(67)61(43-34(49)23-53-24-35(43)50)62(44-36(51)25-54-26-37(44)52)48(68)56-41-22-39(58-60(4-2)46(41)66)31-12-8-10-29(20-31)33-13-5-6-14-42(33)64/h5-26,63-64H,3-4H2,1-2H3,(H,55,67)(H,56,68)
InChIKeyFDTKFAJCTMKJRA-UHFFFAOYSA-N
XLogP11.01
TPSA200.70 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.69
LogP ≤ 511.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-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

Related Compounds

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
4-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 46238643
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-methoxyphenyl)-3-oxopyridazin-4-yl]urea
CID 67548127
5-[3-[5-[(3-chloro-5-hydroxy-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-1-N-(2-piperidin-1-ylethyl)-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 91396983
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
3-[3-[1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazin-3-yl]phenyl]benzamide
CID 54760472
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
4-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[7-[2-hydroxyethyl(methyl)amino]heptyl]benzamide
CID 67548665
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea (CID 91300923) is 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea is CCn1nc(-c2cccc(-c3ccc(O)cc3)c2)cc(NC(=O)N(c2c(Cl)cncc2Cl)N(C(=O)Nc2cc(-c3cccc(-c4ccccc4O)c3)nn(CC)c2=O)c2c(Cl)cncc2Cl)c1=O.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
The InChIKey is FDTKFAJCTMKJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36Cl4N10O6/c1-3-59-45(65)40(21-38(57-59)30-11-7-9-28(19-30)27-15-17-32(63)18-16-27)55-47(67)61(43-34(49)23-53-24-35(43)50)62(44-36(51)25-54-26-37(44)52)48(68)56-41-22-39(58-60(4-2)46(41)66)31-12-8-10-29(20-31)33-13-5-6-14-42(33)64/h5-26,63-64H,3-4H2,1-2H3,(H,55,67)(H,56,68).
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea?
1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea has a molecular weight of 990.69 g/mol, XLogP of 11.01, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-1-[(3,5-dichloro-4-pyridinyl)-[[2-ethyl-6-[3-(2-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]carbamoyl]amino]-3-[2-ethyl-6-[3-(4-hydroxyphenyl)phenyl]-3-oxopyridazin-4-yl]urea is sourced from PubChem (CID 91300923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).