3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C176H165ClFN63O13S2 — CID 158200644

IUPAC3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.O=C(CCCCc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCNc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccc(F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(CSCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)CCCC2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15N5O2.C19H19N5O.C18H15N5OS.C16H14FN5O.C16H17N7O.C15H12ClN5O.C15H14N6OS.C15H14N6O.C14H14N8O.C14H16N6O2.C14H15N5O/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15;25-17(12-13-8-9-14-5-1-2-6-15(14)11-13)21-19-22-18(23-24-19)16-7-3-4-10-20-16;24-17(8-9-18-20-13-6-1-2-7-15(13)25-18)21-16-11-14(22-23-16)12-5-3-4-10-19-12;17-12-7-4-11(5-8-12)6-9-14(23)19-16-20-15(21-22-16)13-3-1-2-10-18-13;24-14(8-2-1-7-13-18-10-5-11-19-13)20-16-21-15(22-23-16)12-6-3-4-9-17-12;16-11-6-4-10(5-7-11)9-13(22)18-15-19-14(20-21-15)12-3-1-2-8-17-12;22-13(10-23-9-11-5-1-3-7-16-11)18-15-19-14(20-21-15)12-6-2-4-8-17-12;22-13(8-7-11-5-1-3-9-16-11)18-15-19-14(20-21-15)12-6-2-4-10-17-12;23-11(5-9-18-13-16-7-3-8-17-13)19-14-20-12(21-22-14)10-4-1-2-6-15-10;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-13H,(H2,22,23,24,25,26);3-4,7-11H,1-2,5-6,12H2,(H2,21,22,23,24,25);1-7,10H,8-9,11H2,(H,21,23,24);1-5,7-8,10H,6,9H2,(H2,19,20,21,22,23);3-6,9-11H,1-2,7-8H2,(H2,20,21,22,23,24);1-8H,9H2,(H2,18,19,20,21,22);1-8H,9-10H2,(H2,18,19,20,21,22);1-6,9-10H,7-8H2,(H2,18,19,20,21,22);1-4,6-8H,5,9H2,(H,16,17,18)(H2,19,20,21,22,23);2-4,6,9H,5,7-8H2,1H3,(H2,16,17,18,19,22);1-2,4-5,8-10H,3,6-7H2,(H2,16,17,18,19,20)
InChIKeyGAWUJOKYIFEHRI-UHFFFAOYSA-N
MW3489.27 g/mol
LogP24.97
Rot. Bonds52

About 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 158200644) has the molecular formula C176H165ClFN63O13S2 and a molecular weight of 3489.27 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID158200644
Molecular FormulaC176H165ClFN63O13S2
Molecular Weight3489.27 g/mol
Exact Mass3486.33
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.O=C(CCCCc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCNc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccc(F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(CSCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)CCCC2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15N5O2.C19H19N5O.C18H15N5OS.C16H14FN5O.C16H17N7O.C15H12ClN5O.C15H14N6OS.C15H14N6O.C14H14N8O.C14H16N6O2.C14H15N5O/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15;25-17(12-13-8-9-14-5-1-2-6-15(14)11-13)21-19-22-18(23-24-19)16-7-3-4-10-20-16;24-17(8-9-18-20-13-6-1-2-7-15(13)25-18)21-16-11-14(22-23-16)12-5-3-4-10-19-12;17-12-7-4-11(5-8-12)6-9-14(23)19-16-20-15(21-22-16)13-3-1-2-10-18-13;24-14(8-2-1-7-13-18-10-5-11-19-13)20-16-21-15(22-23-16)12-6-3-4-9-17-12;16-11-6-4-10(5-7-11)9-13(22)18-15-19-14(20-21-15)12-3-1-2-8-17-12;22-13(10-23-9-11-5-1-3-7-16-11)18-15-19-14(20-21-15)12-6-2-4-8-17-12;22-13(8-7-11-5-1-3-9-16-11)18-15-19-14(20-21-15)12-6-2-4-10-17-12;23-11(5-9-18-13-16-7-3-8-17-13)19-14-20-12(21-22-14)10-4-1-2-6-15-10;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-13H,(H2,22,23,24,25,26);3-4,7-11H,1-2,5-6,12H2,(H2,21,22,23,24,25);1-7,10H,8-9,11H2,(H,21,23,24);1-5,7-8,10H,6,9H2,(H2,19,20,21,22,23);3-6,9-11H,1-2,7-8H2,(H2,20,21,22,23,24);1-8H,9H2,(H2,18,19,20,21,22);1-8H,9-10H2,(H2,18,19,20,21,22);1-6,9-10H,7-8H2,(H2,18,19,20,21,22);1-4,6-8H,5,9H2,(H,16,17,18)(H2,19,20,21,22,23);2-4,6,9H,5,7-8H2,1H3,(H2,16,17,18,19,22);1-2,4-5,8-10H,3,6-7H2,(H2,16,17,18,19,20)
InChIKeyGAWUJOKYIFEHRI-UHFFFAOYSA-N
XLogP24.97
TPSA1034.11 Ų
H-Bond Donors22
H-Bond Acceptors56
Rotatable Bonds52
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003489.27
LogP ≤ 524.97
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 158200644) is 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.O=C(CCCCc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCNc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccc(F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(CSCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)CCCC2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is GAWUJOKYIFEHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2.C19H19N5O.C18H15N5OS.C16H14FN5O.C16H17N7O.C15H12ClN5O.C15H14N6OS.C15H14N6O.C14H14N8O.C14H16N6O2.C14H15N5O/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15;25-17(12-13-8-9-14-5-1-2-6-15(14)11-13)21-19-22-18(23-24-19)16-7-3-4-10-20-16;24-17(8-9-18-20-13-6-1-2-7-15(13)25-18)21-16-11-14(22-23-16)12-5-3-4-10-19-12;17-12-7-4-11(5-8-12)6-9-14(23)19-16-20-15(21-22-16)13-3-1-2-10-18-13;24-14(8-2-1-7-13-18-10-5-11-19-13)20-16-21-15(22-23-16)12-6-3-4-9-17-12;16-11-6-4-10(5-7-11)9-13(22)18-15-19-14(20-21-15)12-3-1-2-8-17-12;22-13(10-23-9-11-5-1-3-7-16-11)18-15-19-14(20-21-15)12-6-2-4-8-17-12;22-13(8-7-11-5-1-3-9-16-11)18-15-19-14(20-21-15)12-6-2-4-10-17-12;23-11(5-9-18-13-16-7-3-8-17-13)19-14-20-12(21-22-14)10-4-1-2-6-15-10;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-13H,(H2,22,23,24,25,26);3-4,7-11H,1-2,5-6,12H2,(H2,21,22,23,24,25);1-7,10H,8-9,11H2,(H,21,23,24);1-5,7-8,10H,6,9H2,(H2,19,20,21,22,23);3-6,9-11H,1-2,7-8H2,(H2,20,21,22,23,24);1-8H,9H2,(H2,18,19,20,21,22);1-8H,9-10H2,(H2,18,19,20,21,22);1-6,9-10H,7-8H2,(H2,18,19,20,21,22);1-4,6-8H,5,9H2,(H,16,17,18)(H2,19,20,21,22,23);2-4,6,9H,5,7-8H2,1H3,(H2,16,17,18,19,22);1-2,4-5,8-10H,3,6-7H2,(H2,16,17,18,19,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 3489.27 g/mol, XLogP of 24.97, 52 rotatable bonds, 22 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 158200644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).