1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

C189H209F21N60O23 — CID 158023728

IUPAC1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4cncc(OC5CC(F)(F)C5)c4)nn3)nn2)c1.CCCCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.O=C(Cc1cncc(OC2CC(F)(F)C2)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C30H31F4N9O3.C29H30F3N7O3.C28H29F2N9O3.C26H30F3N9O4.C26H31F3N8O3.C25H28F3N9O4.C25H30F3N9O3/c1-29(31,32)20-7-8-36-22(12-20)16-37-28(45)25-18-43(42-40-25)9-3-2-4-21-5-6-26(41-39-21)38-27(44)11-19-10-23(17-35-15-19)46-24-13-30(33,34)14-24;1-2-3-10-26(40)25-19-39(38-36-25)15-5-4-8-22-11-12-27(37-35-22)34-28(41)18-23-16-21(13-14-33-23)20-7-6-9-24(17-20)42-29(30,31)32;29-28(30)13-23(14-28)42-22-11-19(15-31-17-22)12-26(40)34-25-8-7-20(35-37-25)5-2-4-10-39-18-24(36-38-39)27(41)33-16-21-6-1-3-9-32-21;1-30-25(41)21-15-38(35-33-21)10-3-2-6-19-8-9-22(34-32-19)31-23(39)16-37-12-11-36(17-24(37)40)14-18-5-4-7-20(13-18)42-26(27,28)29;1-30-25(39)24-18-37(34-33-24)11-3-2-4-19-5-6-20(32-31-19)16-22(38)17-35-12-14-36(15-13-35)21-7-9-23(10-8-21)40-26(27,28)29;1-29-24(40)20-14-37(34-32-20)10-3-2-5-17-8-9-21(33-31-17)30-22(38)15-36-12-11-35(16-23(36)39)18-6-4-7-19(13-18)41-25(26,27)28;1-29-24(39)21-16-37(34-32-21)10-3-2-5-18-8-9-22(33-31-18)30-23(38)17-35-11-13-36(14-12-35)19-6-4-7-20(15-19)40-25(26,27)28/h5-8,10,12,15,17-18,24H,2-4,9,11,13-14,16H2,1H3,(H,37,45)(H,38,41,44);6-7,9,11-14,16-17,19H,2-5,8,10,15,18H2,1H3,(H,34,37,41);1,3,6-9,11,15,17-18,23H,2,4-5,10,12-14,16H2,(H,33,41)(H,34,37,40);4-5,7-9,13,15H,2-3,6,10-12,14,16-17H2,1H3,(H,30,41)(H,31,34,39);5-10,18H,2-4,11-17H2,1H3,(H,30,39);4,6-9,13-14H,2-3,5,10-12,15-16H2,1H3,(H,29,40)(H,30,33,38);4,6-9,15-16H,2-3,5,10-14,17H2,1H3,(H,29,39)(H,30,33,38)
InChIKeyFGJAVZVGAKULSN-UHFFFAOYSA-N
MW4088.11 g/mol
LogP20.72
Rot. Bonds87

About 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 158023728) has the molecular formula C189H209F21N60O23 and a molecular weight of 4088.11 g/mol. Its IUPAC name is 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID158023728
Molecular FormulaC189H209F21N60O23
Molecular Weight4088.11 g/mol
Exact Mass4085.67
IUPAC Name1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4cncc(OC5CC(F)(F)C5)c4)nn3)nn2)c1.CCCCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.O=C(Cc1cncc(OC2CC(F)(F)C2)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C30H31F4N9O3.C29H30F3N7O3.C28H29F2N9O3.C26H30F3N9O4.C26H31F3N8O3.C25H28F3N9O4.C25H30F3N9O3/c1-29(31,32)20-7-8-36-22(12-20)16-37-28(45)25-18-43(42-40-25)9-3-2-4-21-5-6-26(41-39-21)38-27(44)11-19-10-23(17-35-15-19)46-24-13-30(33,34)14-24;1-2-3-10-26(40)25-19-39(38-36-25)15-5-4-8-22-11-12-27(37-35-22)34-28(41)18-23-16-21(13-14-33-23)20-7-6-9-24(17-20)42-29(30,31)32;29-28(30)13-23(14-28)42-22-11-19(15-31-17-22)12-26(40)34-25-8-7-20(35-37-25)5-2-4-10-39-18-24(36-38-39)27(41)33-16-21-6-1-3-9-32-21;1-30-25(41)21-15-38(35-33-21)10-3-2-6-19-8-9-22(34-32-19)31-23(39)16-37-12-11-36(17-24(37)40)14-18-5-4-7-20(13-18)42-26(27,28)29;1-30-25(39)24-18-37(34-33-24)11-3-2-4-19-5-6-20(32-31-19)16-22(38)17-35-12-14-36(15-13-35)21-7-9-23(10-8-21)40-26(27,28)29;1-29-24(40)20-14-37(34-32-20)10-3-2-5-17-8-9-21(33-31-17)30-22(38)15-36-12-11-35(16-23(36)39)18-6-4-7-19(13-18)41-25(26,27)28;1-29-24(39)21-16-37(34-32-21)10-3-2-5-18-8-9-22(33-31-18)30-23(38)17-35-11-13-36(14-12-35)19-6-4-7-20(15-19)40-25(26,27)28/h5-8,10,12,15,17-18,24H,2-4,9,11,13-14,16H2,1H3,(H,37,45)(H,38,41,44);6-7,9,11-14,16-17,19H,2-5,8,10,15,18H2,1H3,(H,34,37,41);1,3,6-9,11,15,17-18,23H,2,4-5,10,12-14,16H2,(H,33,41)(H,34,37,40);4-5,7-9,13,15H,2-3,6,10-12,14,16-17H2,1H3,(H,30,41)(H,31,34,39);5-10,18H,2-4,11-17H2,1H3,(H,30,39);4,6-9,13-14H,2-3,5,10-12,15-16H2,1H3,(H,29,40)(H,30,33,38);4,6-9,15-16H,2-3,5,10-14,17H2,1H3,(H,29,39)(H,30,33,38)
InChIKeyFGJAVZVGAKULSN-UHFFFAOYSA-N
XLogP20.72
TPSA967.89 Ų
H-Bond Donors12
H-Bond Acceptors69
Rotatable Bonds87
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004088.11
LogP ≤ 520.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (CID 158023728) is 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4cncc(OC5CC(F)(F)C5)c4)nn3)nn2)c1.CCCCC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)CN3CCN(c4ccc(OC(F)(F)F)cc4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)CN3CCN(c4cccc(OC(F)(F)F)c4)CC3=O)nn2)nn1.O=C(Cc1cncc(OC2CC(F)(F)C2)c1)Nc1ccc(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.
What is the InChIKey of 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is FGJAVZVGAKULSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F4N9O3.C29H30F3N7O3.C28H29F2N9O3.C26H30F3N9O4.C26H31F3N8O3.C25H28F3N9O4.C25H30F3N9O3/c1-29(31,32)20-7-8-36-22(12-20)16-37-28(45)25-18-43(42-40-25)9-3-2-4-21-5-6-26(41-39-21)38-27(44)11-19-10-23(17-35-15-19)46-24-13-30(33,34)14-24;1-2-3-10-26(40)25-19-39(38-36-25)15-5-4-8-22-11-12-27(37-35-22)34-28(41)18-23-16-21(13-14-33-23)20-7-6-9-24(17-20)42-29(30,31)32;29-28(30)13-23(14-28)42-22-11-19(15-31-17-22)12-26(40)34-25-8-7-20(35-37-25)5-2-4-10-39-18-24(36-38-39)27(41)33-16-21-6-1-3-9-32-21;1-30-25(41)21-15-38(35-33-21)10-3-2-6-19-8-9-22(34-32-19)31-23(39)16-37-12-11-36(17-24(37)40)14-18-5-4-7-20(13-18)42-26(27,28)29;1-30-25(39)24-18-37(34-33-24)11-3-2-4-19-5-6-20(32-31-19)16-22(38)17-35-12-14-36(15-13-35)21-7-9-23(10-8-21)40-26(27,28)29;1-29-24(40)20-14-37(34-32-20)10-3-2-5-17-8-9-21(33-31-17)30-22(38)15-36-12-11-35(16-23(36)39)18-6-4-7-19(13-18)41-25(26,27)28;1-29-24(39)21-16-37(34-32-21)10-3-2-5-18-8-9-22(33-31-18)30-23(38)17-35-11-13-36(14-12-35)19-6-4-7-20(15-19)40-25(26,27)28/h5-8,10,12,15,17-18,24H,2-4,9,11,13-14,16H2,1H3,(H,37,45)(H,38,41,44);6-7,9,11-14,16-17,19H,2-5,8,10,15,18H2,1H3,(H,34,37,41);1,3,6-9,11,15,17-18,23H,2,4-5,10,12-14,16H2,(H,33,41)(H,34,37,40);4-5,7-9,13,15H,2-3,6,10-12,14,16-17H2,1H3,(H,30,41)(H,31,34,39);5-10,18H,2-4,11-17H2,1H3,(H,30,39);4,6-9,13-14H,2-3,5,10-12,15-16H2,1H3,(H,29,40)(H,30,33,38);4,6-9,15-16H,2-3,5,10-14,17H2,1H3,(H,29,39)(H,30,33,38).
What are the key properties of 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 4088.11 g/mol, XLogP of 20.72, 87 rotatable bonds, 12 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158023728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).