5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C128H116ClFN44O15S — CID 157153515

About 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 157153515) has the molecular formula C128H116ClFN44O15S and a molecular weight of 2597.15 g/mol. Its IUPAC name is 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 157153515
• Molecular Formula: C128H116ClFN44O15S
• Molecular Weight: 2597.15 g/mol
• Exact Mass: 2594.91
• IUPAC Name: 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
• SMILES: CC(C)COC(C)C(=O)CC1=NN=C(c2ccccn2)C1.CCn1nnc2cc(C(=O)CC3=NN=C(c4ccccn4)C3)ccc21.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cn1.O=C(CC1=NN=C(c2ccccn2)C1)Cn1c(=O)oc2ccccc21.O=C(CCNC(=O)c1ccco1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1F)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1nc(N2CCOCC2)ncc1Cl.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ncoc1-c1cccs1
• InChI: InChI=1S/C18H16N6O.C18H14N4O3.C16H15ClN8O2.C16H21N3O2.C15H12FN5O.C15H14N6O3.C15H10N6O2S.C15H14N6O/c1-2-24-17-7-6-12(9-16(17)22-23-24)18(25)11-13-10-15(21-20-13)14-5-3-4-8-19-14;23-13(11-22-16-6-1-2-7-17(16)25-18(22)24)9-12-10-15(21-20-12)14-5-3-4-8-19-14;17-10-9-19-16(25-5-7-27-8-6-25)20-12(10)14(26)22-15-21-13(23-24-15)11-3-1-2-4-18-11;1-11(2)10-21-12(3)16(20)9-13-8-15(19-18-13)14-6-4-5-7-17-14;16-11-6-2-1-5-10(11)9-13(22)18-15-19-14(20-21-15)12-7-3-4-8-17-12;22-12(6-8-17-14(23)11-5-3-9-24-11)18-15-19-13(20-21-15)10-4-1-2-7-16-10;22-14(11-12(23-8-17-11)10-5-3-7-24-10)19-15-18-13(20-21-15)9-4-1-2-6-16-9;1-10-5-6-11(9-17-10)8-13(22)18-15-19-14(20-21-15)12-4-2-3-7-16-12/h3-9H,2,10-11H2,1H3;1-8H,9-11H2;1-4,9H,5-8H2,(H2,21,22,23,24,26);4-7,11-12H,8-10H2,1-3H3;1-8H,9H2,(H2,18,19,20,21,22);1-5,7,9H,6,8H2,(H,17,23)(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);2-7,9H,8H2,1H3,(H2,18,19,20,21,22)
• InChIKey: ALNPYMMSWLUQIJ-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 776.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 49
• Rotatable Bonds: 39
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.15
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 157153515) is 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CC(C)COC(C)C(=O)CC1=NN=C(c2ccccn2)C1.CCn1nnc2cc(C(=O)CC3=NN=C(c4ccccn4)C3)ccc21.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cn1.O=C(CC1=NN=C(c2ccccn2)C1)Cn1c(=O)oc2ccccc21.O=C(CCNC(=O)c1ccco1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1F)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1nc(N2CCOCC2)ncc1Cl.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ncoc1-c1cccs1.

What is the InChIKey of 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?

The InChIKey is ALNPYMMSWLUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C18H14N4O3.C16H15ClN8O2.C16H21N3O2.C15H12FN5O.C15H14N6O3.C15H10N6O2S.C15H14N6O/c1-2-24-17-7-6-12(9-16(17)22-23-24)18(25)11-13-10-15(21-20-13)14-5-3-4-8-19-14;23-13(11-22-16-6-1-2-7-17(16)25-18(22)24)9-12-10-15(21-20-12)14-5-3-4-8-19-14;17-10-9-19-16(25-5-7-27-8-6-25)20-12(10)14(26)22-15-21-13(23-24-15)11-3-1-2-4-18-11;1-11(2)10-21-12(3)16(20)9-13-8-15(19-18-13)14-6-4-5-7-17-14;16-11-6-2-1-5-10(11)9-13(22)18-15-19-14(20-21-15)12-7-3-4-8-17-12;22-12(6-8-17-14(23)11-5-3-9-24-11)18-15-19-13(20-21-15)10-4-1-2-7-16-10;22-14(11-12(23-8-17-11)10-5-3-7-24-10)19-15-18-13(20-21-15)9-4-1-2-6-16-9;1-10-5-6-11(9-17-10)8-13(22)18-15-19-14(20-21-15)12-4-2-3-7-16-12/h3-9H,2,10-11H2,1H3;1-8H,9-11H2;1-4,9H,5-8H2,(H2,21,22,23,24,26);4-7,11-12H,8-10H2,1-3H3;1-8H,9H2,(H2,18,19,20,21,22);1-5,7,9H,6,8H2,(H,17,23)(H2,18,19,20,21,22);1-8H,(H2,18,19,20,21,22);2-7,9H,8H2,1H3,(H2,18,19,20,21,22).

What are the key properties of 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?

5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 2597.15 g/mol, XLogP of 16.91, 39 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 157153515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).