6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane

C58H48Cl5F4N17O3 — CID 157484900

IUPAC6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane
SMILESClCCl.Fc1ccc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2c1.N#Cc1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1.Nc1ccc(F)cc1NC1CC1.O=C(Nc1ccc(F)cc1NC1CC1)c1cnnc(Cl)c1.O=C(O)c1cnnc(Cl)c1
InChIInChI=1S/C15H10FN5.C14H12ClFN4O.C14H10ClFN4.C9H11FN2.C5H3ClN2O2.CH2Cl2/c16-10-1-4-13-14(6-10)21(12-2-3-12)15(19-13)9-5-11(7-17)20-18-8-9;15-13-5-8(7-17-20-13)14(21)19-11-4-1-9(16)6-12(11)18-10-2-3-10;15-13-5-8(7-17-19-13)14-18-11-4-1-9(16)6-12(11)20(14)10-2-3-10;10-6-1-4-8(11)9(5-6)12-7-2-3-7;6-4-1-3(5(9)10)2-7-8-4;2-1-3/h1,4-6,8,12H,2-3H2;1,4-7,10,18H,2-3H2,(H,19,21);1,4-7,10H,2-3H2;1,4-5,7,12H,2-3,11H2;1-2H,(H,9,10);1H2
InChIKeyBWPCRKQRQLSGTL-UHFFFAOYSA-N
MW1284.39 g/mol
LogP13.79
Rot. Bonds11

About 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane

6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane (PubChem CID 157484900) has the molecular formula C58H48Cl5F4N17O3 and a molecular weight of 1284.39 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane
PubChem CID157484900
Molecular FormulaC58H48Cl5F4N17O3
Molecular Weight1284.39 g/mol
Exact Mass1281.25
IUPAC Name6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane
SMILESClCCl.Fc1ccc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2c1.N#Cc1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1.Nc1ccc(F)cc1NC1CC1.O=C(Nc1ccc(F)cc1NC1CC1)c1cnnc(Cl)c1.O=C(O)c1cnnc(Cl)c1
InChIInChI=1S/C15H10FN5.C14H12ClFN4O.C14H10ClFN4.C9H11FN2.C5H3ClN2O2.CH2Cl2/c16-10-1-4-13-14(6-10)21(12-2-3-12)15(19-13)9-5-11(7-17)20-18-8-9;15-13-5-8(7-17-20-13)14(21)19-11-4-1-9(16)6-12(11)18-10-2-3-10;15-13-5-8(7-17-19-13)14-18-11-4-1-9(16)6-12(11)20(14)10-2-3-10;10-6-1-4-8(11)9(5-6)12-7-2-3-7;6-4-1-3(5(9)10)2-7-8-4;2-1-3/h1,4-6,8,12H,2-3H2;1,4-7,10,18H,2-3H2,(H,19,21);1,4-7,10H,2-3H2;1,4-5,7,12H,2-3,11H2;1-2H,(H,9,10);1H2
InChIKeyBWPCRKQRQLSGTL-UHFFFAOYSA-N
XLogP13.79
TPSA279.03 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.39
LogP ≤ 513.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane with MolForge

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Related Compounds

6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane;2,2,2-trifluoroacetaldehyde
CID 159446338
N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid
CID 161408981

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane?
The IUPAC name of 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane (CID 157484900) is 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane.
What is the SMILES notation for 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane?
The canonical SMILES for 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane is ClCCl.Fc1ccc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2c1.N#Cc1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1.Nc1ccc(F)cc1NC1CC1.O=C(Nc1ccc(F)cc1NC1CC1)c1cnnc(Cl)c1.O=C(O)c1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane?
The InChIKey is BWPCRKQRQLSGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5.C14H12ClFN4O.C14H10ClFN4.C9H11FN2.C5H3ClN2O2.CH2Cl2/c16-10-1-4-13-14(6-10)21(12-2-3-12)15(19-13)9-5-11(7-17)20-18-8-9;15-13-5-8(7-17-20-13)14(21)19-11-4-1-9(16)6-12(11)18-10-2-3-10;15-13-5-8(7-17-19-13)14-18-11-4-1-9(16)6-12(11)20(14)10-2-3-10;10-6-1-4-8(11)9(5-6)12-7-2-3-7;6-4-1-3(5(9)10)2-7-8-4;2-1-3/h1,4-6,8,12H,2-3H2;1,4-7,10,18H,2-3H2,(H,19,21);1,4-7,10H,2-3H2;1,4-5,7,12H,2-3,11H2;1-2H,(H,9,10);1H2.
What are the key properties of 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane?
6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane has a molecular weight of 1284.39 g/mol, XLogP of 13.79, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopropylamino)-4-fluorophenyl]pyridazine-4-carboxamide;6-chloropyridazine-4-carboxylic acid;2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazine-3-carbonitrile;dichloromethane is sourced from PubChem (CID 157484900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).