N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide

C104H107N21O8S5 — CID 91027314

About N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide

N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 91027314) has the molecular formula C104H107N21O8S5 and a molecular weight of 1939.47 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide
• PubChem CID: 91027314
• Molecular Formula: C104H107N21O8S5
• Molecular Weight: 1939.47 g/mol
• Exact Mass: 1937.72
• IUPAC Name: N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide
• SMILES: CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH]ncc3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH]ncc3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1ccc2[nH]ncc2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1ccc2[nH]ncc2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCC(O)(c2ccccn2)CC1
• InChI: InChI=1S/C24H23N5O2S.C21H18N4OS.2C20H22N4O2S.C19H22N4OS/c30-22(28-14-10-24(31,11-15-28)20-8-4-5-12-25-20)21(17-6-2-1-3-7-17)29-13-9-19-18(23(29)32)16-26-27-19;1-24(16-10-6-3-7-11-16)20(26)19(15-8-4-2-5-9-15)25-13-12-18-17(21(25)27)14-22-23-18;2*1-20(26)8-11-23(12-9-20)18(25)17(14-5-3-2-4-6-14)24-10-7-16-15(19(24)27)13-21-22-16;1-4-22(13(2)3)18(24)17(14-8-6-5-7-9-14)23-11-10-16-15(19(23)25)12-20-21-16/h1-9,12-13,16,21,31H,10-11,14-15H2,(H,26,27);2-14,19H,1H3,(H,22,23);2*2-7,10,13,17,26H,8-9,11-12H2,1H3,(H,21,22);5-13,17H,4H2,1-3H3,(H,20,21)
• InChIKey: DULGYJJHVUUQQB-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 343.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.47
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide?

The IUPAC name of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide (CID 91027314) is N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide.

What is the SMILES notation for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide?

The canonical SMILES for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide is CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH]ncc3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH]ncc3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1ccc2[nH]ncc2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1ccc2[nH]ncc2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCC(O)(c2ccccn2)CC1.

What is the InChIKey of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide?

The InChIKey is DULGYJJHVUUQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S.C21H18N4OS.2C20H22N4O2S.C19H22N4OS/c30-22(28-14-10-24(31,11-15-28)20-8-4-5-12-25-20)21(17-6-2-1-3-7-17)29-13-9-19-18(23(29)32)16-26-27-19;1-24(16-10-6-3-7-11-16)20(26)19(15-8-4-2-5-9-15)25-13-12-18-17(21(25)27)14-22-23-18;2*1-20(26)8-11-23(12-9-20)18(25)17(14-5-3-2-4-6-14)24-10-7-16-15(19(24)27)13-21-22-16;1-4-22(13(2)3)18(24)17(14-8-6-5-7-9-14)23-11-10-16-15(19(23)25)12-20-21-16/h1-9,12-13,16,21,31H,10-11,14-15H2,(H,26,27);2-14,19H,1H3,(H,22,23);2*2-7,10,13,17,26H,8-9,11-12H2,1H3,(H,21,22);5-13,17H,4H2,1-3H3,(H,20,21).

What are the key properties of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide?

N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 1939.47 g/mol, XLogP of 17.99, 19 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 91027314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).