6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane

C156H206Cl8F4N24O34 — CID 158047431

IUPAC6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane
SMILESC.C.C.C.C.CCOC(=O)c1cc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn1.C[C@@H](Oc1cc(C(=O)O)nnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1c(Cl)ccc(F)c1Cl.C[C@@H]1CN(C(=O)c2ccc(N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn3)cc2)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@H](C)N1.C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C41H51Cl2FN6O9.C26H27Cl2FN6O3.C25H30Cl2FN3O7.C23H26Cl2FN3O7.C18H25N3O5.C18H27N3O3.5CH4/c1-22-20-48(21-23(2)49(22)36(53)57-39(4,5)6)35(52)25-13-15-26(16-14-25)45-34(51)29-19-30(56-24(3)31-27(42)17-18-28(44)32(31)43)33(47-46-29)50(37(54)58-40(7,8)9)38(55)59-41(10,11)12;1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28;1-9-35-21(32)16-12-17(36-13(2)18-14(26)10-11-15(28)19(18)27)20(30-29-16)31(22(33)37-24(3,4)5)23(34)38-25(6,7)8;1-11(16-12(24)8-9-13(26)17(16)25)34-15-10-14(19(30)31)27-28-18(15)29(20(32)35-22(2,3)4)21(33)36-23(5,6)7;1-12-10-19(11-13(2)20(12)17(23)26-18(3,4)5)16(22)14-6-8-15(9-7-14)21(24)25;1-12-10-20(16(22)14-6-8-15(19)9-7-14)11-13(2)21(12)17(23)24-18(3,4)5;;;;;/h13-19,22-24H,20-21H2,1-12H3,(H,45,51);4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36);10-13H,9H2,1-8H3;8-11H,1-7H3,(H,30,31);6-9,12-13H,10-11H2,1-5H3;6-9,12-13H,10-11,19H2,1-5H3;5*1H4/t22-,23+,24-;13-,14+,15-;13-;11-;2*12-,13+;;;;;/m1111......./s1
InChIKeyFJBSXTWCKOQCTQ-DTBHZLELSA-N
MW3321.11 g/mol
LogP36.52
Rot. Bonds27

About 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane

6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane (PubChem CID 158047431) has the molecular formula C156H206Cl8F4N24O34 and a molecular weight of 3321.11 g/mol. Its IUPAC name is 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane.

Molecular Properties

Compound Name6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane
PubChem CID158047431
Molecular FormulaC156H206Cl8F4N24O34
Molecular Weight3321.11 g/mol
Exact Mass3315.26
IUPAC Name6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane
SMILESC.C.C.C.C.CCOC(=O)c1cc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn1.C[C@@H](Oc1cc(C(=O)O)nnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1c(Cl)ccc(F)c1Cl.C[C@@H]1CN(C(=O)c2ccc(N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn3)cc2)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@H](C)N1.C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C41H51Cl2FN6O9.C26H27Cl2FN6O3.C25H30Cl2FN3O7.C23H26Cl2FN3O7.C18H25N3O5.C18H27N3O3.5CH4/c1-22-20-48(21-23(2)49(22)36(53)57-39(4,5)6)35(52)25-13-15-26(16-14-25)45-34(51)29-19-30(56-24(3)31-27(42)17-18-28(44)32(31)43)33(47-46-29)50(37(54)58-40(7,8)9)38(55)59-41(10,11)12;1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28;1-9-35-21(32)16-12-17(36-13(2)18-14(26)10-11-15(28)19(18)27)20(30-29-16)31(22(33)37-24(3,4)5)23(34)38-25(6,7)8;1-11(16-12(24)8-9-13(26)17(16)25)34-15-10-14(19(30)31)27-28-18(15)29(20(32)35-22(2,3)4)21(33)36-23(5,6)7;1-12-10-19(11-13(2)20(12)17(23)26-18(3,4)5)16(22)14-6-8-15(9-7-14)21(24)25;1-12-10-20(16(22)14-6-8-15(19)9-7-14)11-13(2)21(12)17(23)24-18(3,4)5;;;;;/h13-19,22-24H,20-21H2,1-12H3,(H,45,51);4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36);10-13H,9H2,1-8H3;8-11H,1-7H3,(H,30,31);6-9,12-13H,10-11H2,1-5H3;6-9,12-13H,10-11,19H2,1-5H3;5*1H4/t22-,23+,24-;13-,14+,15-;13-;11-;2*12-,13+;;;;;/m1111......./s1
InChIKeyFJBSXTWCKOQCTQ-DTBHZLELSA-N
XLogP36.52
TPSA706.43 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003321.11
LogP ≤ 536.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane?
The IUPAC name of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane (CID 158047431) is 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane.
What is the SMILES notation for 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane?
The canonical SMILES for 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane is C.C.C.C.C.CCOC(=O)c1cc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn1.C[C@@H](Oc1cc(C(=O)O)nnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1c(Cl)ccc(F)c1Cl.C[C@@H]1CN(C(=O)c2ccc(N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn3)cc2)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@H](C)N1.C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane?
The InChIKey is FJBSXTWCKOQCTQ-DTBHZLELSA-N. The full InChI is InChI=1S/C41H51Cl2FN6O9.C26H27Cl2FN6O3.C25H30Cl2FN3O7.C23H26Cl2FN3O7.C18H25N3O5.C18H27N3O3.5CH4/c1-22-20-48(21-23(2)49(22)36(53)57-39(4,5)6)35(52)25-13-15-26(16-14-25)45-34(51)29-19-30(56-24(3)31-27(42)17-18-28(44)32(31)43)33(47-46-29)50(37(54)58-40(7,8)9)38(55)59-41(10,11)12;1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28;1-9-35-21(32)16-12-17(36-13(2)18-14(26)10-11-15(28)19(18)27)20(30-29-16)31(22(33)37-24(3,4)5)23(34)38-25(6,7)8;1-11(16-12(24)8-9-13(26)17(16)25)34-15-10-14(19(30)31)27-28-18(15)29(20(32)35-22(2,3)4)21(33)36-23(5,6)7;1-12-10-19(11-13(2)20(12)17(23)26-18(3,4)5)16(22)14-6-8-15(9-7-14)21(24)25;1-12-10-20(16(22)14-6-8-15(19)9-7-14)11-13(2)21(12)17(23)24-18(3,4)5;;;;;/h13-19,22-24H,20-21H2,1-12H3,(H,45,51);4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36);10-13H,9H2,1-8H3;8-11H,1-7H3,(H,30,31);6-9,12-13H,10-11H2,1-5H3;6-9,12-13H,10-11,19H2,1-5H3;5*1H4/t22-,23+,24-;13-,14+,15-;13-;11-;2*12-,13+;;;;;/m1111......./s1.
What are the key properties of 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane?
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane has a molecular weight of 3321.11 g/mol, XLogP of 36.52, 27 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylic acid;tert-butyl (2S,6R)-4-(4-aminobenzoyl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-4-[4-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carbonyl]amino]benzoyl]-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2R,6S)-2,6-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate;ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate;methane is sourced from PubChem (CID 158047431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).