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

C60H49Cl5F7N17O4 — CID 159446338

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;2,2,2-trifluoroacetaldehyde
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.O=CC(F)(F)F
InChIInChI=1S/C15H10FN5.C14H12ClFN4O.C14H10ClFN4.C9H11FN2.C5H3ClN2O2.C2HF3O.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;3-2(4,5)1-6;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);1H;1H2
InChIKeyLSUPWIKWIAVJIJ-UHFFFAOYSA-N
MW1382.42 g/mol
LogP14.53
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;2,2,2-trifluoroacetaldehyde

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 (PubChem CID 159446338) has the molecular formula C60H49Cl5F7N17O4 and a molecular weight of 1382.42 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;2,2,2-trifluoroacetaldehyde.

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;2,2,2-trifluoroacetaldehyde
PubChem CID159446338
Molecular FormulaC60H49Cl5F7N17O4
Molecular Weight1382.42 g/mol
Exact Mass1379.25
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;2,2,2-trifluoroacetaldehyde
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.O=CC(F)(F)F
InChIInChI=1S/C15H10FN5.C14H12ClFN4O.C14H10ClFN4.C9H11FN2.C5H3ClN2O2.C2HF3O.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;3-2(4,5)1-6;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);1H;1H2
InChIKeyLSUPWIKWIAVJIJ-UHFFFAOYSA-N
XLogP14.53
TPSA296.10 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.42
LogP ≤ 514.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

N-[2-(cyclopropylamino)-4-fluorophenyl]-4-methylpyrimidine-5-carboxamide;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;1-cyclopropyl-6-fluoro-2-(4-methylpyrimidin-5-yl)benzimidazole;dichloromethane;4-methylpyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 157477755
N-[4-chloro-2-(cyclopropylamino)phenyl]-4-ethylpyrimidine-5-carboxamide;4-chloro-2-N-cyclopropylbenzene-1,2-diamine;6-chloro-1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)benzimidazole;dichloromethane;4-ethylpyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 160155594
N-[2-(cyclopropylamino)-4-fluorophenyl]-4-ethylpyrimidine-5-carboxamide;1-cyclopropyl-2-(4-ethylpyrimidin-5-yl)-6-fluorobenzimidazole;2-N-cyclopropyl-4-fluorobenzene-1,2-diamine;dichloromethane;4-ethylpyrimidine-5-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 161816588
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
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;2,2,2-trifluoroacetaldehyde?
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;2,2,2-trifluoroacetaldehyde (CID 159446338) 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;2,2,2-trifluoroacetaldehyde.
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;2,2,2-trifluoroacetaldehyde?
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;2,2,2-trifluoroacetaldehyde 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.O=CC(F)(F)F.
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;2,2,2-trifluoroacetaldehyde?
The InChIKey is LSUPWIKWIAVJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5.C14H12ClFN4O.C14H10ClFN4.C9H11FN2.C5H3ClN2O2.C2HF3O.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;3-2(4,5)1-6;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);1H;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;2,2,2-trifluoroacetaldehyde?
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 has a molecular weight of 1382.42 g/mol, XLogP of 14.53, 11 rotatable bonds, 5 hydrogen bond donors, and 19 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;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159446338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).