1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C135H148F5N47O12S3 — CID 160641329

IUPAC1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCCC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(C(=O)CCc3cc(C)ccn3)s2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(-c4cccc(C)c4)ccn3)s2)nn1.Cc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(CC(=O)Cc4ccccn4)nn3)nn2)c1.Cc1ccnc(CCC(=O)c2cn(CC(F)CCc3nnc(CC(=O)Cc4ccccn4)s3)nn2)c1.O=C(Cc1ccccn1)Cc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C25H27FN8O2.C25H26FN7O2S.C24H25FN8O2S.C23H25N9O2.C19H23FN8O2.C19H22FN7O2S/c1-18-5-4-6-19(11-18)14-28-25(36)24-17-33(32-30-24)10-8-20(26)15-34-16-22(29-31-34)13-23(35)12-21-7-2-3-9-27-21;1-17-9-11-28-20(12-17)6-7-23(35)22-16-33(32-29-22)15-18(26)5-8-24-30-31-25(36-24)14-21(34)13-19-4-2-3-10-27-19;1-15-4-3-5-16(10-15)17-8-9-27-19(11-17)12-21(34)28-24-31-30-22(36-24)7-6-18(25)13-33-14-20(29-32-33)23(35)26-2;33-21(13-18-7-1-3-9-24-18)14-20-16-31(29-27-20)11-5-6-12-32-17-22(28-30-32)23(34)26-15-19-8-2-4-10-25-19;1-3-18(29)16-11-27(25-23-16)7-5-14(20)10-28-12-17(24-26-28)19(30)22-9-15-8-13(2)4-6-21-15;1-12-7-8-22-14(9-12)4-5-16(28)19-25-24-17(30-19)6-3-13(20)10-27-11-15(23-26-27)18(29)21-2/h2-7,9,11,16-17,20H,8,10,12-15H2,1H3,(H,28,36);2-4,9-12,16,18H,5-8,13-15H2,1H3;3-5,8-11,14,18H,6-7,12-13H2,1-2H3,(H,26,35)(H,28,31,34);1-4,7-10,16-17H,5-6,11-15H2,(H,26,34);4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3,(H,22,30);7-9,11,13H,3-6,10H2,1-2H3,(H,21,29)
InChIKeyRJFFLRWFAAOKRY-UHFFFAOYSA-N
MW2812.18 g/mol
LogP13.59
Rot. Bonds67

About 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 160641329) has the molecular formula C135H148F5N47O12S3 and a molecular weight of 2812.18 g/mol. Its IUPAC name is 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID160641329
Molecular FormulaC135H148F5N47O12S3
Molecular Weight2812.18 g/mol
Exact Mass2810.15
IUPAC Name1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCCC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(C(=O)CCc3cc(C)ccn3)s2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(-c4cccc(C)c4)ccn3)s2)nn1.Cc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(CC(=O)Cc4ccccn4)nn3)nn2)c1.Cc1ccnc(CCC(=O)c2cn(CC(F)CCc3nnc(CC(=O)Cc4ccccn4)s3)nn2)c1.O=C(Cc1ccccn1)Cc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C25H27FN8O2.C25H26FN7O2S.C24H25FN8O2S.C23H25N9O2.C19H23FN8O2.C19H22FN7O2S/c1-18-5-4-6-19(11-18)14-28-25(36)24-17-33(32-30-24)10-8-20(26)15-34-16-22(29-31-34)13-23(35)12-21-7-2-3-9-27-21;1-17-9-11-28-20(12-17)6-7-23(35)22-16-33(32-29-22)15-18(26)5-8-24-30-31-25(36-24)14-21(34)13-19-4-2-3-10-27-19;1-15-4-3-5-16(10-15)17-8-9-27-19(11-17)12-21(34)28-24-31-30-22(36-24)7-6-18(25)13-33-14-20(29-32-33)23(35)26-2;33-21(13-18-7-1-3-9-24-18)14-20-16-31(29-27-20)11-5-6-12-32-17-22(28-30-32)23(34)26-15-19-8-2-4-10-25-19;1-3-18(29)16-11-27(25-23-16)7-5-14(20)10-28-12-17(24-26-28)19(30)22-9-15-8-13(2)4-6-21-15;1-12-7-8-22-14(9-12)4-5-16(28)19-25-24-17(30-19)6-3-13(20)10-27-11-15(23-26-27)18(29)21-2/h2-7,9,11,16-17,20H,8,10,12-15H2,1H3,(H,28,36);2-4,9-12,16,18H,5-8,13-15H2,1H3;3-5,8-11,14,18H,6-7,12-13H2,1-2H3,(H,26,35)(H,28,31,34);1-4,7-10,16-17H,5-6,11-15H2,(H,26,34);4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3,(H,22,30);7-9,11,13H,3-6,10H2,1-2H3,(H,21,29)
InChIKeyRJFFLRWFAAOKRY-UHFFFAOYSA-N
XLogP13.59
TPSA733.87 Ų
H-Bond Donors6
H-Bond Acceptors56
Rotatable Bonds67
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002812.18
LogP ≤ 513.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 160641329) is 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CCC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C)ccn3)nn2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(C(=O)CCc3cc(C)ccn3)s2)nn1.CNC(=O)c1cn(CC(F)CCc2nnc(NC(=O)Cc3cc(-c4cccc(C)c4)ccn3)s2)nn1.Cc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(CC(=O)Cc4ccccn4)nn3)nn2)c1.Cc1ccnc(CCC(=O)c2cn(CC(F)CCc3nnc(CC(=O)Cc4ccccn4)s3)nn2)c1.O=C(Cc1ccccn1)Cc1cn(CCCCn2cc(C(=O)NCc3ccccn3)nn2)nn1.
What is the InChIKey of 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is RJFFLRWFAAOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2.C25H26FN7O2S.C24H25FN8O2S.C23H25N9O2.C19H23FN8O2.C19H22FN7O2S/c1-18-5-4-6-19(11-18)14-28-25(36)24-17-33(32-30-24)10-8-20(26)15-34-16-22(29-31-34)13-23(35)12-21-7-2-3-9-27-21;1-17-9-11-28-20(12-17)6-7-23(35)22-16-33(32-29-22)15-18(26)5-8-24-30-31-25(36-24)14-21(34)13-19-4-2-3-10-27-19;1-15-4-3-5-16(10-15)17-8-9-27-19(11-17)12-21(34)28-24-31-30-22(36-24)7-6-18(25)13-33-14-20(29-32-33)23(35)26-2;33-21(13-18-7-1-3-9-24-18)14-20-16-31(29-27-20)11-5-6-12-32-17-22(28-30-32)23(34)26-15-19-8-2-4-10-25-19;1-3-18(29)16-11-27(25-23-16)7-5-14(20)10-28-12-17(24-26-28)19(30)22-9-15-8-13(2)4-6-21-15;1-12-7-8-22-14(9-12)4-5-16(28)19-25-24-17(30-19)6-3-13(20)10-27-11-15(23-26-27)18(29)21-2/h2-7,9,11,16-17,20H,8,10,12-15H2,1H3,(H,28,36);2-4,9-12,16,18H,5-8,13-15H2,1H3;3-5,8-11,14,18H,6-7,12-13H2,1-2H3,(H,26,35)(H,28,31,34);1-4,7-10,16-17H,5-6,11-15H2,(H,26,34);4,6,8,11-12,14H,3,5,7,9-10H2,1-2H3,(H,22,30);7-9,11,13H,3-6,10H2,1-2H3,(H,21,29).
What are the key properties of 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 2812.18 g/mol, XLogP of 13.59, 67 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[5-[[2-[4-(3-methylphenyl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[5-[3-(4-methyl-2-pyridinyl)propanoyl]-1,3,4-thiadiazol-2-yl]butyl]-N-methyltriazole-4-carboxamide;1-[1-[2-fluoro-4-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]butyl]triazol-4-yl]-3-(4-methyl-2-pyridinyl)propan-1-one;1-[3-fluoro-4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;1-[2-fluoro-4-(4-propanoyltriazol-1-yl)butyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-(2-oxo-3-pyridin-2-ylpropyl)triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 160641329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).