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

C99H102N26O8S5 — CID 91541951

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

N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 91541951) has the molecular formula C99H102N26O8S5 and a molecular weight of 1944.41 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide
• PubChem CID: 91541951
• Molecular Formula: C99H102N26O8S5
• Molecular Weight: 1944.41 g/mol
• Exact Mass: 1942.70
• IUPAC Name: N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide
• SMILES: CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH]ncc3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH]ncc3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1cnc2[nH]ncc2c1=S)N1CCC(O)(c2ccccn2)CC1
• InChI: InChI=1S/C23H22N6O2S.C20H17N5OS.2C19H21N5O2S.C18H21N5OS/c30-21(28-12-9-23(31,10-13-28)18-8-4-5-11-24-18)19(16-6-2-1-3-7-16)29-15-25-20-17(22(29)32)14-26-27-20;1-24(15-10-6-3-7-11-15)19(26)17(14-8-4-2-5-9-14)25-13-21-18-16(20(25)27)12-22-23-18;2*1-19(26)7-9-23(10-8-19)17(25)15(13-5-3-2-4-6-13)24-12-20-16-14(18(24)27)11-21-22-16;1-4-22(12(2)3)17(24)15(13-8-6-5-7-9-13)23-11-19-16-14(18(23)25)10-20-21-16/h1-8,11,14-15,19,31H,9-10,12-13H2,(H,26,27);2-13,17H,1H3,(H,22,23);2*2-6,11-12,15,26H,7-10H2,1H3,(H,21,22);5-12,15H,4H2,1-3H3,(H,20,21)
• InChIKey: IUADCUJITXUGDO-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 407.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.41
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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

The IUPAC name of N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 91541951) is N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

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

The canonical SMILES for N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH]ncc3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH]ncc3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1cnc2[nH]ncc2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1cnc2[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[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide?

The InChIKey is IUADCUJITXUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S.C20H17N5OS.2C19H21N5O2S.C18H21N5OS/c30-21(28-12-9-23(31,10-13-28)18-8-4-5-11-24-18)19(16-6-2-1-3-7-16)29-15-25-20-17(22(29)32)14-26-27-20;1-24(15-10-6-3-7-11-15)19(26)17(14-8-4-2-5-9-14)25-13-21-18-16(20(25)27)12-22-23-18;2*1-19(26)7-9-23(10-8-19)17(25)15(13-5-3-2-4-6-13)24-12-20-16-14(18(24)27)11-21-22-16;1-4-22(12(2)3)17(24)15(13-8-6-5-7-9-13)23-11-19-16-14(18(23)25)10-20-21-16/h1-8,11,14-15,19,31H,9-10,12-13H2,(H,26,27);2-13,17H,1H3,(H,22,23);2*2-6,11-12,15,26H,7-10H2,1H3,(H,21,22);5-12,15H,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[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide?

N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 1944.41 g/mol, XLogP of 14.96, 19 rotatable bonds, 8 hydrogen bond donors, and 29 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[5,4-d]pyrimidin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone);1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91541951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).