2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C150H133ClN48O17S4 — CID 160885349

IUPAC2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1
InChIInChI=1S/C19H17N7O.C18H18N6O2S.C18H15N5O2.C18H15N3O2.C16H14ClN5O2.C16H15N5O3S.C15H10N6O2S.C15H16N6OS.C15H13N5O2/c27-17(22-19-23-18(24-25-19)16-8-4-5-11-20-16)10-9-14-12-21-26(13-14)15-6-2-1-3-7-15;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;24-18(15-10-16(25-23-15)12-6-2-1-3-7-12)20-17-11-14(21-22-17)13-8-4-5-9-19-13;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;1-10(24-13-8-3-2-6-11(13)17)15(23)20-16-19-14(21-22-16)12-7-4-5-9-18-12;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;1-15(2,3)13-17-10(8-23-13)12(22)19-14-18-11(20-21-14)9-6-4-5-7-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-9,16H,10-11H2,(H,20,22,24);1-5,7,9H,6,8,10-11H2;2-10H,1H3,(H2,19,20,21,22,23);3-9H,1-2H3,(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21)
InChIKeySNOHVNGXLNVVGF-UHFFFAOYSA-N
MW3043.75 g/mol
LogP22.45
Rot. Bonds38

About 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 160885349) has the molecular formula C150H133ClN48O17S4 and a molecular weight of 3043.75 g/mol. Its IUPAC name is 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID160885349
Molecular FormulaC150H133ClN48O17S4
Molecular Weight3043.75 g/mol
Exact Mass3040.96
IUPAC Name2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1
InChIInChI=1S/C19H17N7O.C18H18N6O2S.C18H15N5O2.C18H15N3O2.C16H14ClN5O2.C16H15N5O3S.C15H10N6O2S.C15H16N6OS.C15H13N5O2/c27-17(22-19-23-18(24-25-19)16-8-4-5-11-20-16)10-9-14-12-21-26(13-14)15-6-2-1-3-7-15;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;24-18(15-10-16(25-23-15)12-6-2-1-3-7-12)20-17-11-14(21-22-17)13-8-4-5-9-19-13;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;1-10(24-13-8-3-2-6-11(13)17)15(23)20-16-19-14(21-22-16)12-7-4-5-9-18-12;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;1-15(2,3)13-17-10(8-23-13)12(22)19-14-18-11(20-21-14)9-6-4-5-7-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-9,16H,10-11H2,(H,20,22,24);1-5,7,9H,6,8,10-11H2;2-10H,1H3,(H2,19,20,21,22,23);3-9H,1-2H3,(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21)
InChIKeySNOHVNGXLNVVGF-UHFFFAOYSA-N
XLogP22.45
TPSA866.78 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds38
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.75
LogP ≤ 522.45
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Analyze 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 160885349) is 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is SNOHVNGXLNVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O.C18H18N6O2S.C18H15N5O2.C18H15N3O2.C16H14ClN5O2.C16H15N5O3S.C15H10N6O2S.C15H16N6OS.C15H13N5O2/c27-17(22-19-23-18(24-25-19)16-8-4-5-11-20-16)10-9-14-12-21-26(13-14)15-6-2-1-3-7-15;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;24-18(15-10-16(25-23-15)12-6-2-1-3-7-12)20-17-11-14(21-22-17)13-8-4-5-9-19-13;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;1-10(24-13-8-3-2-6-11(13)17)15(23)20-16-19-14(21-22-16)12-7-4-5-9-18-12;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;1-15(2,3)13-17-10(8-23-13)12(22)19-14-18-11(20-21-14)9-6-4-5-7-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-9,16H,10-11H2,(H,20,22,24);1-5,7,9H,6,8,10-11H2;2-10H,1H3,(H2,19,20,21,22,23);3-9H,1-2H3,(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21).
What are the key properties of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 3043.75 g/mol, XLogP of 22.45, 38 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 160885349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).