sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane

C70H66Cl3F4N20NaO10 — CID 159942571

IUPACsodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane
SMILESC.CCO.CCOC(C)=O.O=C(O)c1cnnc(Cl)c1.O=C([O-])C(F)(F)Cl.[C-]#[N+]c1ccc(N)c(NC2CC2)c1.[C-]#[N+]c1ccc(NC(=O)c2cnnc(Cl)c2)c(NC2CC2)c1.[C-]#[N+]c1ccc2nc(-c3cn[nH]c(=O)c3)n(C3CC3)c2c1.[C-]#[N+]c1ccc2nc(-c3cnnc(OC(F)F)c3)n(C3CC3)c2c1.[Na+]
InChIInChI=1S/C16H11F2N5O.C15H12ClN5O.C15H11N5O.C10H11N3.C5H3ClN2O2.C4H8O2.C2HClF2O2.C2H6O.CH4.Na/c1-19-10-2-5-12-13(7-10)23(11-3-4-11)15(21-12)9-6-14(22-20-8-9)24-16(17)18;1-17-11-4-5-12(13(7-11)19-10-2-3-10)20-15(22)9-6-14(16)21-18-8-9;1-16-10-2-5-12-13(7-10)20(11-3-4-11)15(18-12)9-6-14(21)19-17-8-9;1-12-8-4-5-9(11)10(6-8)13-7-2-3-7;6-4-1-3(5(9)10)2-7-8-4;1-3-6-4(2)5;3-2(4,5)1(6)7;1-2-3;;/h2,5-8,11,16H,3-4H2;4-8,10,19H,2-3H2,(H,20,22);2,5-8,11H,3-4H2,(H,19,21);4-7,13H,2-3,11H2;1-2H,(H,9,10);3H2,1-2H3;(H,6,7);3H,2H2,1H3;1H4;/q;;;;;;;;;+1/p-1
InChIKeyOBBKNGYZRXTDIC-UHFFFAOYSA-M
MW1552.77 g/mol
LogP11.16
Rot. Bonds15

About sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane

sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane (PubChem CID 159942571) has the molecular formula C70H66Cl3F4N20NaO10 and a molecular weight of 1552.77 g/mol. Its IUPAC name is sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane.

Molecular Properties

Compound Namesodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane
PubChem CID159942571
Molecular FormulaC70H66Cl3F4N20NaO10
Molecular Weight1552.77 g/mol
Exact Mass1550.42
IUPAC Namesodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane
SMILESC.CCO.CCOC(C)=O.O=C(O)c1cnnc(Cl)c1.O=C([O-])C(F)(F)Cl.[C-]#[N+]c1ccc(N)c(NC2CC2)c1.[C-]#[N+]c1ccc(NC(=O)c2cnnc(Cl)c2)c(NC2CC2)c1.[C-]#[N+]c1ccc2nc(-c3cn[nH]c(=O)c3)n(C3CC3)c2c1.[C-]#[N+]c1ccc2nc(-c3cnnc(OC(F)F)c3)n(C3CC3)c2c1.[Na+]
InChIInChI=1S/C16H11F2N5O.C15H12ClN5O.C15H11N5O.C10H11N3.C5H3ClN2O2.C4H8O2.C2HClF2O2.C2H6O.CH4.Na/c1-19-10-2-5-12-13(7-10)23(11-3-4-11)15(21-12)9-6-14(22-20-8-9)24-16(17)18;1-17-11-4-5-12(13(7-11)19-10-2-3-10)20-15(22)9-6-14(16)21-18-8-9;1-16-10-2-5-12-13(7-10)20(11-3-4-11)15(18-12)9-6-14(21)19-17-8-9;1-12-8-4-5-9(11)10(6-8)13-7-2-3-7;6-4-1-3(5(9)10)2-7-8-4;1-3-6-4(2)5;3-2(4,5)1(6)7;1-2-3;;/h2,5-8,11,16H,3-4H2;4-8,10,19H,2-3H2,(H,20,22);2,5-8,11H,3-4H2,(H,19,21);4-7,13H,2-3,11H2;1-2H,(H,9,10);3H2,1-2H3;(H,6,7);3H,2H2,1H3;1H4;/q;;;;;;;;;+1/p-1
InChIKeyOBBKNGYZRXTDIC-UHFFFAOYSA-M
XLogP11.16
TPSA388.54 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001552.77
LogP ≤ 511.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158988889
N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;3-cyclopropyl-2-(6-methoxypyridazin-4-yl)benzimidazole-5-carbonitrile;dichloromethane;6-methoxypyridazine-4-carboxylic acid
CID 157959095
N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid
CID 159883442

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane?
The IUPAC name of sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane (CID 159942571) is sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane.
What is the SMILES notation for sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane?
The canonical SMILES for sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane is C.CCO.CCOC(C)=O.O=C(O)c1cnnc(Cl)c1.O=C([O-])C(F)(F)Cl.[C-]#[N+]c1ccc(N)c(NC2CC2)c1.[C-]#[N+]c1ccc(NC(=O)c2cnnc(Cl)c2)c(NC2CC2)c1.[C-]#[N+]c1ccc2nc(-c3cn[nH]c(=O)c3)n(C3CC3)c2c1.[C-]#[N+]c1ccc2nc(-c3cnnc(OC(F)F)c3)n(C3CC3)c2c1.[Na+].
What is the InChIKey of sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane?
The InChIKey is OBBKNGYZRXTDIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11F2N5O.C15H12ClN5O.C15H11N5O.C10H11N3.C5H3ClN2O2.C4H8O2.C2HClF2O2.C2H6O.CH4.Na/c1-19-10-2-5-12-13(7-10)23(11-3-4-11)15(21-12)9-6-14(22-20-8-9)24-16(17)18;1-17-11-4-5-12(13(7-11)19-10-2-3-10)20-15(22)9-6-14(16)21-18-8-9;1-16-10-2-5-12-13(7-10)20(11-3-4-11)15(18-12)9-6-14(21)19-17-8-9;1-12-8-4-5-9(11)10(6-8)13-7-2-3-7;6-4-1-3(5(9)10)2-7-8-4;1-3-6-4(2)5;3-2(4,5)1(6)7;1-2-3;;/h2,5-8,11,16H,3-4H2;4-8,10,19H,2-3H2,(H,20,22);2,5-8,11H,3-4H2,(H,19,21);4-7,13H,2-3,11H2;1-2H,(H,9,10);3H2,1-2H3;(H,6,7);3H,2H2,1H3;1H4;/q;;;;;;;;;+1/p-1.
What are the key properties of sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane?
sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane has a molecular weight of 1552.77 g/mol, XLogP of 11.16, 15 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane is sourced from PubChem (CID 159942571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).