1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide

C111H102N36O12S — CID 158538212

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide

1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 158538212) has the molecular formula C111H102N36O12S and a molecular weight of 2164.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide
• PubChem CID: 158538212
• Molecular Formula: C111H102N36O12S
• Molecular Weight: 2164.34 g/mol
• Exact Mass: 2162.82
• IUPAC Name: 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide
• SMILES: CC(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.Cc1noc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.N#Cc1ccccc1OCC(=O)CC1=NN=C(c2ccccn2)C1.O=C(CC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1.O=C(Cc1cccs1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C19H14N6O2.C19H17N3O2.C18H14N4O2.C15H17N7O2.C14H14N6O2.C13H11N5OS.C13H15N5O/c26-18(23-19-22-17(24-25-19)15-8-4-5-11-20-15)13-9-10-16(21-12-13)27-14-6-2-1-3-7-14;23-18(14-9-13-5-1-2-7-19(13)24-12-14)11-15-10-17(22-21-15)16-6-3-4-8-20-16;19-11-13-5-1-2-7-18(13)24-12-15(23)9-14-10-17(22-21-14)16-6-3-4-8-20-16;1-9(2)13-18-12(24-22-13)7-6-11(23)17-15-19-14(20-21-15)10-5-3-4-8-16-10;1-8-10(9(2)22-20-8)7-12(21)16-14-17-13(18-19-14)11-5-3-4-6-15-11;19-11(8-9-4-3-7-20-9)15-13-16-12(17-18-13)10-5-1-2-6-14-10;19-12(9-5-1-2-6-9)16-13-15-11(17-18-13)10-7-3-4-8-14-10/h1-12H,(H2,22,23,24,25,26);1-8,14H,9-12H2;1-8H,9-10,12H2;3-5,8-9H,6-7H2,1-2H3,(H2,17,19,20,21,23);3-6H,7H2,1-2H3,(H2,16,17,18,19,21);1-7H,8H2,(H2,15,16,17,18,19);3-4,7-9H,1-2,5-6H2,(H2,15,16,17,18,19)
• InChIKey: HOEWKWQAYVKSEZ-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 656.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.34
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide (CID 158538212) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide is CC(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.Cc1noc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.N#Cc1ccccc1OCC(=O)CC1=NN=C(c2ccccn2)C1.O=C(CC1=NN=C(c2ccccn2)C1)C1COc2ccccc2C1.O=C(Cc1cccs1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)nc1.

What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

The InChIKey is HOEWKWQAYVKSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2.C19H17N3O2.C18H14N4O2.C15H17N7O2.C14H14N6O2.C13H11N5OS.C13H15N5O/c26-18(23-19-22-17(24-25-19)15-8-4-5-11-20-15)13-9-10-16(21-12-13)27-14-6-2-1-3-7-14;23-18(14-9-13-5-1-2-7-19(13)24-12-14)11-15-10-17(22-21-15)16-6-3-4-8-20-16;19-11-13-5-1-2-7-18(13)24-12-15(23)9-14-10-17(22-21-14)16-6-3-4-8-20-16;1-9(2)13-18-12(24-22-13)7-6-11(23)17-15-19-14(20-21-15)10-5-3-4-8-16-10;1-8-10(9(2)22-20-8)7-12(21)16-14-17-13(18-19-14)11-5-3-4-6-15-11;19-11(8-9-4-3-7-20-9)15-13-16-12(17-18-13)10-5-1-2-6-14-10;19-12(9-5-1-2-6-9)16-13-15-11(17-18-13)10-7-3-4-8-14-10/h1-12H,(H2,22,23,24,25,26);1-8,14H,9-12H2;1-8H,9-10,12H2;3-5,8-9H,6-7H2,1-2H3,(H2,17,19,20,21,23);3-6H,7H2,1-2H3,(H2,16,17,18,19,21);1-7H,8H2,(H2,15,16,17,18,19);3-4,7-9H,1-2,5-6H2,(H2,15,16,17,18,19).

What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide?

1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 2164.34 g/mol, XLogP of 16.39, 32 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 158538212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).