N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane

C116H115F19N40O14S6 — CID 159614889

IUPACN-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane
SMILESC.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cccc(F)n4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cncs4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)c4ccccn4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)c4ccncc4)s3)nn2)c1.CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)s1
InChIInChI=1S/C25H23F5N8O3S.2C24H22F4N8O3S.C23H22F4N8O3S2.C19H22F2N8O2S.CH4/c1-25(29,30)41-17-6-7-18(27)14(9-17)11-31-23(40)19-13-38(37-34-19)12-15(26)5-8-22-35-36-24(42-22)33-21(39)10-16-3-2-4-20(28)32-16;1-24(27,28)39-17-3-4-18(26)15(10-17)11-30-22(38)19-13-36(35-32-19)12-16(25)2-5-20-33-34-23(40-20)31-21(37)14-6-8-29-9-7-14;1-24(27,28)39-16-6-7-17(26)14(10-16)11-30-21(37)19-13-36(35-32-19)12-15(25)5-8-20-33-34-23(40-20)31-22(38)18-4-2-3-9-29-18;1-23(26,27)38-15-3-4-17(25)13(6-15)8-29-21(37)18-11-35(34-31-18)10-14(24)2-5-20-32-33-22(40-20)30-19(36)7-16-9-28-12-39-16;1-19(20,21)12-6-7-23-13(9-12)10-24-16(30)14-11-29(28-25-14)8-4-3-5-15-26-27-18(32-15)17(31)22-2;/h2-4,6-7,9,13,15H,5,8,10-12H2,1H3,(H,31,40)(H,33,36,39);3-4,6-10,13,16H,2,5,11-12H2,1H3,(H,30,38)(H,31,34,37);2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,30,37)(H,31,34,38);3-4,6,9,11-12,14H,2,5,7-8,10H2,1H3,(H,29,37)(H,30,33,36);6-7,9,11H,3-5,8,10H2,1-2H3,(H,22,31)(H,24,30);1H4
InChIKeyMNDWODFDTUPZEE-UHFFFAOYSA-N
MW2846.83 g/mol
LogP17.88
Rot. Bonds60

About N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane

N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane (PubChem CID 159614889) has the molecular formula C116H115F19N40O14S6 and a molecular weight of 2846.83 g/mol. Its IUPAC name is N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane.

Molecular Properties

Compound NameN-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane
PubChem CID159614889
Molecular FormulaC116H115F19N40O14S6
Molecular Weight2846.83 g/mol
Exact Mass2844.75
IUPAC NameN-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane
SMILESC.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cccc(F)n4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cncs4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)c4ccccn4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)c4ccncc4)s3)nn2)c1.CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)s1
InChIInChI=1S/C25H23F5N8O3S.2C24H22F4N8O3S.C23H22F4N8O3S2.C19H22F2N8O2S.CH4/c1-25(29,30)41-17-6-7-18(27)14(9-17)11-31-23(40)19-13-38(37-34-19)12-15(26)5-8-22-35-36-24(42-22)33-21(39)10-16-3-2-4-20(28)32-16;1-24(27,28)39-17-3-4-18(26)15(10-17)11-30-22(38)19-13-36(35-32-19)12-16(25)2-5-20-33-34-23(40-20)31-21(37)14-6-8-29-9-7-14;1-24(27,28)39-16-6-7-17(26)14(10-16)11-30-21(37)19-13-36(35-32-19)12-15(25)5-8-20-33-34-23(40-20)31-22(38)18-4-2-3-9-29-18;1-23(26,27)38-15-3-4-17(25)13(6-15)8-29-21(37)18-11-35(34-31-18)10-14(24)2-5-20-32-33-22(40-20)30-19(36)7-16-9-28-12-39-16;1-19(20,21)12-6-7-23-13(9-12)10-24-16(30)14-11-29(28-25-14)8-4-3-5-15-26-27-18(32-15)17(31)22-2;/h2-4,6-7,9,13,15H,5,8,10-12H2,1H3,(H,31,40)(H,33,36,39);3-4,6-10,13,16H,2,5,11-12H2,1H3,(H,30,38)(H,31,34,37);2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,30,37)(H,31,34,38);3-4,6,9,11-12,14H,2,5,7-8,10H2,1H3,(H,29,37)(H,30,33,36);6-7,9,11H,3-5,8,10H2,1-2H3,(H,22,31)(H,24,30);1H4
InChIKeyMNDWODFDTUPZEE-UHFFFAOYSA-N
XLogP17.88
TPSA674.82 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds60
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002846.83
LogP ≤ 517.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane?
The IUPAC name of N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane (CID 159614889) is N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane.
What is the SMILES notation for N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane?
The canonical SMILES for N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane is C.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cccc(F)n4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)Cc4cncs4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)c4ccccn4)s3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CC(F)CCc3nnc(NC(=O)c4ccncc4)s3)nn2)c1.CNC(=O)c1nnc(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)s1.
What is the InChIKey of N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane?
The InChIKey is MNDWODFDTUPZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N8O3S.2C24H22F4N8O3S.C23H22F4N8O3S2.C19H22F2N8O2S.CH4/c1-25(29,30)41-17-6-7-18(27)14(9-17)11-31-23(40)19-13-38(37-34-19)12-15(26)5-8-22-35-36-24(42-22)33-21(39)10-16-3-2-4-20(28)32-16;1-24(27,28)39-17-3-4-18(26)15(10-17)11-30-22(38)19-13-36(35-32-19)12-16(25)2-5-20-33-34-23(40-20)31-21(37)14-6-8-29-9-7-14;1-24(27,28)39-16-6-7-17(26)14(10-16)11-30-21(37)19-13-36(35-32-19)12-15(25)5-8-20-33-34-23(40-20)31-22(38)18-4-2-3-9-29-18;1-23(26,27)38-15-3-4-17(25)13(6-15)8-29-21(37)18-11-35(34-31-18)10-14(24)2-5-20-32-33-22(40-20)30-19(36)7-16-9-28-12-39-16;1-19(20,21)12-6-7-23-13(9-12)10-24-16(30)14-11-29(28-25-14)8-4-3-5-15-26-27-18(32-15)17(31)22-2;/h2-4,6-7,9,13,15H,5,8,10-12H2,1H3,(H,31,40)(H,33,36,39);3-4,6-10,13,16H,2,5,11-12H2,1H3,(H,30,38)(H,31,34,37);2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,30,37)(H,31,34,38);3-4,6,9,11-12,14H,2,5,7-8,10H2,1H3,(H,29,37)(H,30,33,36);6-7,9,11H,3-5,8,10H2,1-2H3,(H,22,31)(H,24,30);1H4.
What are the key properties of N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane?
N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane has a molecular weight of 2846.83 g/mol, XLogP of 17.88, 60 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;N-[5-[4-[4-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(6-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[5-[[2-(1,3-thiazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]triazole-4-carboxamide;5-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide;methane is sourced from PubChem (CID 159614889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).