1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

C164H184ClF8N49O17 — CID 159158900

IUPAC1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(Cl)c3F)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)[C@@H](C)c3ccccc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cncc(-c4cccc(OC(F)(F)F)c4)c3)nn2)nn1
InChIInChI=1S/C26H25F3N8O3.C25H31N7O3.C24H27F2N7O3.C23H26F2N8O2.C23H27N7O2.C22H26N6O2.C21H22ClFN6O2/c1-30-25(39)22-16-37(36-34-22)10-3-2-6-20-8-9-23(35-33-20)32-24(38)12-17-11-19(15-31-14-17)18-5-4-7-21(13-18)40-26(27,28)29;1-26-25(34)24-18-32(30-29-24)10-3-2-6-20-8-9-21(28-27-20)17-23(33)16-19-5-4-7-22(15-19)31-11-13-35-14-12-31;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;1-23(24,25)16-9-10-26-18(12-16)13-27-22(35)19-14-33(32-30-19)11-3-2-4-17-7-8-20(31-29-17)28-21(34)15-5-6-15;1-24-23(32)22-15-30(29-28-22)11-3-2-4-18-7-8-19(27-26-18)13-21(31)14-20-12-17(9-10-25-20)16-5-6-16;1-16(17-8-4-3-5-9-17)21(29)14-19-12-11-18(24-25-19)10-6-7-13-28-15-20(26-27-28)22(30)23-2;1-24-21(31)19-13-29(28-27-19)10-3-2-6-15-8-9-16(26-25-15)12-17(30)11-14-5-4-7-18(22)20(14)23/h4-5,7-9,11,13-16H,2-3,6,10,12H2,1H3,(H,30,39)(H,32,35,38);4-5,7-9,15,18H,2-3,6,10-14,16-17H2,1H3,(H,26,34);4-5,7,10-11,13,15,17H,2-3,6,8-9,12,14H2,1H3,(H,27,35)(H,28,31,34);7-10,12,14-15H,2-6,11,13H2,1H3,(H,27,35)(H,28,31,34);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,24,32);3-5,8-9,11-12,15-16H,6-7,10,13-14H2,1-2H3,(H,23,30);4-5,7-9,13H,2-3,6,10-12H2,1H3,(H,24,31)/t;;;;;16-;/m.....0./s1
InChIKeyKKGANWUETVZTNM-MFWFABNVSA-N
MW3301.04 g/mol
LogP18.51
Rot. Bonds76

About 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide

1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 159158900) has the molecular formula C164H184ClF8N49O17 and a molecular weight of 3301.04 g/mol. Its IUPAC name is 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
PubChem CID159158900
Molecular FormulaC164H184ClF8N49O17
Molecular Weight3301.04 g/mol
Exact Mass3298.46
IUPAC Name1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
SMILESCC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(Cl)c3F)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)[C@@H](C)c3ccccc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cncc(-c4cccc(OC(F)(F)F)c4)c3)nn2)nn1
InChIInChI=1S/C26H25F3N8O3.C25H31N7O3.C24H27F2N7O3.C23H26F2N8O2.C23H27N7O2.C22H26N6O2.C21H22ClFN6O2/c1-30-25(39)22-16-37(36-34-22)10-3-2-6-20-8-9-23(35-33-20)32-24(38)12-17-11-19(15-31-14-17)18-5-4-7-21(13-18)40-26(27,28)29;1-26-25(34)24-18-32(30-29-24)10-3-2-6-20-8-9-21(28-27-20)17-23(33)16-19-5-4-7-22(15-19)31-11-13-35-14-12-31;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;1-23(24,25)16-9-10-26-18(12-16)13-27-22(35)19-14-33(32-30-19)11-3-2-4-17-7-8-20(31-29-17)28-21(34)15-5-6-15;1-24-23(32)22-15-30(29-28-22)11-3-2-4-18-7-8-19(27-26-18)13-21(31)14-20-12-17(9-10-25-20)16-5-6-16;1-16(17-8-4-3-5-9-17)21(29)14-19-12-11-18(24-25-19)10-6-7-13-28-15-20(26-27-28)22(30)23-2;1-24-21(31)19-13-29(28-27-19)10-3-2-6-15-8-9-16(26-25-15)12-17(30)11-14-5-4-7-18(22)20(14)23/h4-5,7-9,11,13-16H,2-3,6,10,12H2,1H3,(H,30,39)(H,32,35,38);4-5,7-9,15,18H,2-3,6,10-14,16-17H2,1H3,(H,26,34);4-5,7,10-11,13,15,17H,2-3,6,8-9,12,14H2,1H3,(H,27,35)(H,28,31,34);7-10,12,14-15H,2-6,11,13H2,1H3,(H,27,35)(H,28,31,34);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,24,32);3-5,8-9,11-12,15-16H,6-7,10,13-14H2,1-2H3,(H,23,30);4-5,7-9,13H,2-3,6,10-12H2,1H3,(H,24,31)/t;;;;;16-;/m.....0./s1
InChIKeyKKGANWUETVZTNM-MFWFABNVSA-N
XLogP18.51
TPSA824.31 Ų
H-Bond Donors10
H-Bond Acceptors56
Rotatable Bonds76
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003301.04
LogP ≤ 518.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (CID 159158900) is 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)C4CC4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(Cl)c3F)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(N4CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)[C@@H](C)c3ccccc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cncc(-c4cccc(OC(F)(F)F)c4)c3)nn2)nn1.
What is the InChIKey of 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
The InChIKey is KKGANWUETVZTNM-MFWFABNVSA-N. The full InChI is InChI=1S/C26H25F3N8O3.C25H31N7O3.C24H27F2N7O3.C23H26F2N8O2.C23H27N7O2.C22H26N6O2.C21H22ClFN6O2/c1-30-25(39)22-16-37(36-34-22)10-3-2-6-20-8-9-23(35-33-20)32-24(38)12-17-11-19(15-31-14-17)18-5-4-7-21(13-18)40-26(27,28)29;1-26-25(34)24-18-32(30-29-24)10-3-2-6-20-8-9-21(28-27-20)17-23(33)16-19-5-4-7-22(15-19)31-11-13-35-14-12-31;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;1-23(24,25)16-9-10-26-18(12-16)13-27-22(35)19-14-33(32-30-19)11-3-2-4-17-7-8-20(31-29-17)28-21(34)15-5-6-15;1-24-23(32)22-15-30(29-28-22)11-3-2-4-18-7-8-19(27-26-18)13-21(31)14-20-12-17(9-10-25-20)16-5-6-16;1-16(17-8-4-3-5-9-17)21(29)14-19-12-11-18(24-25-19)10-6-7-13-28-15-20(26-27-28)22(30)23-2;1-24-21(31)19-13-29(28-27-19)10-3-2-6-15-8-9-16(26-25-15)12-17(30)11-14-5-4-7-18(22)20(14)23/h4-5,7-9,11,13-16H,2-3,6,10,12H2,1H3,(H,30,39)(H,32,35,38);4-5,7-9,15,18H,2-3,6,10-14,16-17H2,1H3,(H,26,34);4-5,7,10-11,13,15,17H,2-3,6,8-9,12,14H2,1H3,(H,27,35)(H,28,31,34);7-10,12,14-15H,2-6,11,13H2,1H3,(H,27,35)(H,28,31,34);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,24,32);3-5,8-9,11-12,15-16H,6-7,10,13-14H2,1-2H3,(H,23,30);4-5,7-9,13H,2-3,6,10-12H2,1H3,(H,24,31)/t;;;;;16-;/m.....0./s1.
What are the key properties of 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide?
1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide has a molecular weight of 3301.04 g/mol, XLogP of 18.51, 76 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[3-(3-morpholin-4-ylphenyl)-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 159158900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).