1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide

C96H92FN31O11 — CID 157315087

About 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide

1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide (PubChem CID 157315087) has the molecular formula C96H92FN31O11 and a molecular weight of 1875.00 g/mol. Its IUPAC name is 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
• PubChem CID: 157315087
• Molecular Formula: C96H92FN31O11
• Molecular Weight: 1875.00 g/mol
• Exact Mass: 1873.76
• IUPAC Name: 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide
• SMILES: CC(C)COC(C)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CCn1nnc2cc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)ccc21.Cc1ccc(CC(=O)Nc2cnc(-c3ccccn3)[nH]2)cn1.O=C(CCCC(=O)c1ccco1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1F)Nc1cnc(-c2ccccn2)[nH]1.O=C(Cn1c(=O)oc2ccccc21)Nc1ncc(-c2ccccn2)[nH]1.[H][H]
• InChI: InChI=1S/C17H13N5O3.C16H13FN4O.C16H14N8O.C16H15N5O3.C16H15N5O.C15H20N4O2.H2/c23-15(10-22-13-6-1-2-7-14(13)25-17(22)24)21-16-19-9-12(20-16)11-5-3-4-8-18-11;17-12-6-2-1-5-11(12)9-15(22)20-14-10-19-16(21-14)13-7-3-4-8-18-13;1-2-24-13-7-6-10(9-12(13)20-23-24)15(25)19-16-18-14(21-22-16)11-5-3-4-8-17-11;22-12(13-7-4-10-24-13)6-3-8-14(23)18-16-19-15(20-21-16)11-5-1-2-9-17-11;1-11-5-6-12(9-18-11)8-15(22)20-14-10-19-16(21-14)13-4-2-3-7-17-13;1-10(2)9-21-11(3)13(20)8-14-17-15(19-18-14)12-6-4-5-7-16-12;/h1-9H,10H2,(H2,19,20,21,23);1-8,10H,9H2,(H,19,21)(H,20,22);3-9H,2H2,1H3,(H2,18,19,21,22,25);1-2,4-5,7,9-10H,3,6,8H2,(H2,18,19,20,21,23);2-7,9-10H,8H2,1H3,(H,19,21)(H,20,22);4-7,10-11H,8-9H2,1-3H3,(H,17,18,19);1H
• InChIKey: BDMNZKPJTFBMQW-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 568.84 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.00
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The IUPAC name of 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide (CID 157315087) is 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide.

What is the SMILES notation for 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The canonical SMILES for 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide is CC(C)COC(C)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CCn1nnc2cc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)ccc21.Cc1ccc(CC(=O)Nc2cnc(-c3ccccn3)[nH]2)cn1.O=C(CCCC(=O)c1ccco1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccccc1F)Nc1cnc(-c2ccccn2)[nH]1.O=C(Cn1c(=O)oc2ccccc21)Nc1ncc(-c2ccccn2)[nH]1.[H][H].

What is the InChIKey of 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

The InChIKey is BDMNZKPJTFBMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3.C16H13FN4O.C16H14N8O.C16H15N5O3.C16H15N5O.C15H20N4O2.H2/c23-15(10-22-13-6-1-2-7-14(13)25-17(22)24)21-16-19-9-12(20-16)11-5-3-4-8-18-11;17-12-6-2-1-5-11(12)9-15(22)20-14-10-19-16(21-14)13-7-3-4-8-18-13;1-2-24-13-7-6-10(9-12(13)20-23-24)15(25)19-16-18-14(21-22-16)11-5-3-4-8-17-11;22-12(13-7-4-10-24-13)6-3-8-14(23)18-16-19-15(20-21-16)11-5-1-2-9-17-11;1-11-5-6-12(9-18-11)8-15(22)20-14-10-19-16(21-14)13-4-2-3-7-17-13;1-10(2)9-21-11(3)13(20)8-14-17-15(19-18-14)12-6-4-5-7-16-12;/h1-9H,10H2,(H2,19,20,21,23);1-8,10H,9H2,(H,19,21)(H,20,22);3-9H,2H2,1H3,(H2,18,19,21,22,25);1-2,4-5,7,9-10H,3,6,8H2,(H2,18,19,20,21,23);2-7,9-10H,8H2,1H3,(H,19,21)(H,20,22);4-7,10-11H,8-9H2,1-3H3,(H,17,18,19);1H.

What are the key properties of 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide?

1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide has a molecular weight of 1875.00 g/mol, XLogP of 13.79, 30 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzotriazole-5-carboxamide;2-(2-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;5-(furan-2-yl)-5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide;3-(2-methylpropoxy)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;molecular hydrogen;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 157315087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).