1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide

C172H203F9N54O22 — CID 157438792

IUPAC1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCC(=O)Nc1ccc(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CC(=O)Nc1ccc(CCCCn2cc(C(=O)NCc3cccc(OC(C)(F)F)c3)nn2)nn1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CC(F)CCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OCCOC)c3)nn2)nn1
InChIInChI=1S/C30H38N8O4.C26H26F3N9O2.C26H34N8O4.C24H27F2N7O3.C23H29N7O4.C22H25F2N7O3.C21H24F2N8O2/c1-30(2,3)42-29(41)37-16-13-22(14-17-37)23-9-7-8-21(18-23)19-27(39)32-26-12-11-24(33-35-26)10-5-6-15-38-20-25(34-36-38)28(40)31-4;1-26(28,29)17-9-11-31-21(12-17)14-32-25(40)22-16-38(37-35-22)15-18(27)5-6-19-7-8-23(36-34-19)33-24(39)13-20-4-2-3-10-30-20;1-26(2,3)38-25(37)28-16-19-9-7-8-18(14-19)15-23(35)29-22-12-11-20(30-32-22)10-5-6-13-34-17-21(31-33-34)24(36)27-4;1-24(25,26)36-19-7-4-5-16(13-19)14-27-23(35)20-15-33(32-30-20)12-3-2-6-18-10-11-21(31-29-18)28-22(34)17-8-9-17;1-24-23(32)20-16-30(29-27-20)11-4-3-7-18-9-10-21(28-26-18)25-22(31)15-17-6-5-8-19(14-17)34-13-12-33-2;1-15(32)26-20-10-9-17(27-29-20)7-3-4-11-31-14-19(28-30-31)21(33)25-13-16-6-5-8-18(12-16)34-22(2,23)24;1-14(32)26-19-7-6-16(27-29-19)5-3-4-10-31-13-18(28-30-31)20(33)25-12-17-11-15(8-9-24-17)21(2,22)23/h7-9,11-13,18,20H,5-6,10,14-17,19H2,1-4H3,(H,31,40)(H,32,35,39);2-4,7-12,16,18H,5-6,13-15H2,1H3,(H,32,40)(H,33,36,39);7-9,11-12,14,17H,5-6,10,13,15-16H2,1-4H3,(H,27,36)(H,28,37)(H,29,32,35);4-5,7,10-11,13,15,17H,2-3,6,8-9,12,14H2,1H3,(H,27,35)(H,28,31,34);5-6,8-10,14,16H,3-4,7,11-13,15H2,1-2H3,(H,24,32)(H,25,28,31);5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,25,33)(H,26,29,32);6-9,11,13H,3-5,10,12H2,1-2H3,(H,25,33)(H,26,29,32)
InChIKeyBRKOPUCUSDAZGC-UHFFFAOYSA-N
MW3549.85 g/mol
LogP19.84
Rot. Bonds79

About 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide

1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide (PubChem CID 157438792) has the molecular formula C172H203F9N54O22 and a molecular weight of 3549.85 g/mol. Its IUPAC name is 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
PubChem CID157438792
Molecular FormulaC172H203F9N54O22
Molecular Weight3549.85 g/mol
Exact Mass3547.63
IUPAC Name1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCC(=O)Nc1ccc(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CC(=O)Nc1ccc(CCCCn2cc(C(=O)NCc3cccc(OC(C)(F)F)c3)nn2)nn1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CC(F)CCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OCCOC)c3)nn2)nn1
InChIInChI=1S/C30H38N8O4.C26H26F3N9O2.C26H34N8O4.C24H27F2N7O3.C23H29N7O4.C22H25F2N7O3.C21H24F2N8O2/c1-30(2,3)42-29(41)37-16-13-22(14-17-37)23-9-7-8-21(18-23)19-27(39)32-26-12-11-24(33-35-26)10-5-6-15-38-20-25(34-36-38)28(40)31-4;1-26(28,29)17-9-11-31-21(12-17)14-32-25(40)22-16-38(37-35-22)15-18(27)5-6-19-7-8-23(36-34-19)33-24(39)13-20-4-2-3-10-30-20;1-26(2,3)38-25(37)28-16-19-9-7-8-18(14-19)15-23(35)29-22-12-11-20(30-32-22)10-5-6-13-34-17-21(31-33-34)24(36)27-4;1-24(25,26)36-19-7-4-5-16(13-19)14-27-23(35)20-15-33(32-30-20)12-3-2-6-18-10-11-21(31-29-18)28-22(34)17-8-9-17;1-24-23(32)20-16-30(29-27-20)11-4-3-7-18-9-10-21(28-26-18)25-22(31)15-17-6-5-8-19(14-17)34-13-12-33-2;1-15(32)26-20-10-9-17(27-29-20)7-3-4-11-31-14-19(28-30-31)21(33)25-13-16-6-5-8-18(12-16)34-22(2,23)24;1-14(32)26-19-7-6-16(27-29-19)5-3-4-10-31-13-18(28-30-31)20(33)25-12-17-11-15(8-9-24-17)21(2,22)23/h7-9,11-13,18,20H,5-6,10,14-17,19H2,1-4H3,(H,31,40)(H,32,35,39);2-4,7-12,16,18H,5-6,13-15H2,1H3,(H,32,40)(H,33,36,39);7-9,11-12,14,17H,5-6,10,13,15-16H2,1-4H3,(H,27,36)(H,28,37)(H,29,32,35);4-5,7,10-11,13,15,17H,2-3,6,8-9,12,14H2,1H3,(H,27,35)(H,28,31,34);5-6,8-10,14,16H,3-4,7,11-13,15H2,1-2H3,(H,24,32)(H,25,28,31);5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,25,33)(H,26,29,32);6-9,11,13H,3-5,10,12H2,1-2H3,(H,25,33)(H,26,29,32)
InChIKeyBRKOPUCUSDAZGC-UHFFFAOYSA-N
XLogP19.84
TPSA946.29 Ų
H-Bond Donors15
H-Bond Acceptors60
Rotatable Bonds79
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003549.85
LogP ≤ 519.84
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide (CID 157438792) is 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide is CC(=O)Nc1ccc(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.CC(=O)Nc1ccc(CCCCn2cc(C(=O)NCc3cccc(OC(C)(F)F)c3)nn2)nn1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CC(F)CCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OCCOC)c3)nn2)nn1.
What is the InChIKey of 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The InChIKey is BRKOPUCUSDAZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O4.C26H26F3N9O2.C26H34N8O4.C24H27F2N7O3.C23H29N7O4.C22H25F2N7O3.C21H24F2N8O2/c1-30(2,3)42-29(41)37-16-13-22(14-17-37)23-9-7-8-21(18-23)19-27(39)32-26-12-11-24(33-35-26)10-5-6-15-38-20-25(34-36-38)28(40)31-4;1-26(28,29)17-9-11-31-21(12-17)14-32-25(40)22-16-38(37-35-22)15-18(27)5-6-19-7-8-23(36-34-19)33-24(39)13-20-4-2-3-10-30-20;1-26(2,3)38-25(37)28-16-19-9-7-8-18(14-19)15-23(35)29-22-12-11-20(30-32-22)10-5-6-13-34-17-21(31-33-34)24(36)27-4;1-24(25,26)36-19-7-4-5-16(13-19)14-27-23(35)20-15-33(32-30-20)12-3-2-6-18-10-11-21(31-29-18)28-22(34)17-8-9-17;1-24-23(32)20-16-30(29-27-20)11-4-3-7-18-9-10-21(28-26-18)25-22(31)15-17-6-5-8-19(14-17)34-13-12-33-2;1-15(32)26-20-10-9-17(27-29-20)7-3-4-11-31-14-19(28-30-31)21(33)25-13-16-6-5-8-18(12-16)34-22(2,23)24;1-14(32)26-19-7-6-16(27-29-19)5-3-4-10-31-13-18(28-30-31)20(33)25-12-17-11-15(8-9-24-17)21(2,22)23/h7-9,11-13,18,20H,5-6,10,14-17,19H2,1-4H3,(H,31,40)(H,32,35,39);2-4,7-12,16,18H,5-6,13-15H2,1H3,(H,32,40)(H,33,36,39);7-9,11-12,14,17H,5-6,10,13,15-16H2,1-4H3,(H,27,36)(H,28,37)(H,29,32,35);4-5,7,10-11,13,15,17H,2-3,6,8-9,12,14H2,1H3,(H,27,35)(H,28,31,34);5-6,8-10,14,16H,3-4,7,11-13,15H2,1-2H3,(H,24,32)(H,25,28,31);5-6,8-10,12,14H,3-4,7,11,13H2,1-2H3,(H,25,33)(H,26,29,32);6-9,11,13H,3-5,10,12H2,1-2H3,(H,25,33)(H,26,29,32).
What are the key properties of 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide has a molecular weight of 3549.85 g/mol, XLogP of 19.84, 79 rotatable bonds, 15 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 157438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).