N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide

C99H102N26O13S5 — CID 91128655

About N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide

N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide (PubChem CID 91128655) has the molecular formula C99H102N26O13S5 and a molecular weight of 2024.41 g/mol. Its IUPAC name is N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide
• PubChem CID: 91128655
• Molecular Formula: C99H102N26O13S5
• Molecular Weight: 2024.41 g/mol
• Exact Mass: 2022.67
• IUPAC Name: N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide
• SMILES: CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH][nH]c(=O)c3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH][nH]c(=O)c3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1cnc2[nH][nH]c(=O)c2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1cnc2[nH][nH]c(=O)c2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1cnc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1
• InChI: InChI=1S/C23H22N6O3S.C20H17N5O2S.2C19H21N5O3S.C18H21N5O2S/c30-20-17-19(26-27-20)25-14-29(22(17)33)18(15-6-2-1-3-7-15)21(31)28-12-9-23(32,10-13-28)16-8-4-5-11-24-16;1-24(14-10-6-3-7-11-14)19(27)16(13-8-4-2-5-9-13)25-12-21-17-15(20(25)28)18(26)23-22-17;2*1-19(27)7-9-23(10-8-19)17(26)14(12-5-3-2-4-6-12)24-11-20-15-13(18(24)28)16(25)22-21-15;1-4-22(11(2)3)17(25)14(12-8-6-5-7-9-12)23-10-19-15-13(18(23)26)16(24)21-20-15/h1-8,11,14,18,32H,9-10,12-13H2,(H2,26,27,30);2-12,16H,1H3,(H2,22,23,26);2*2-6,11,14,27H,7-10H2,1H3,(H2,21,22,25);5-11,14H,4H2,1-3H3,(H2,20,21,24)
• InChIKey: OEMRGYKHEYQOEV-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 507.48 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2024.41
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	13
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-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide?

The IUPAC name of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide (CID 91128655) is N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide.

What is the SMILES notation for N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide?

The canonical SMILES for N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide is CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH][nH]c(=O)c3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2cnc3[nH][nH]c(=O)c3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1cnc2[nH][nH]c(=O)c2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1cnc2[nH][nH]c(=O)c2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1cnc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1.

What is the InChIKey of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide?

The InChIKey is OEMRGYKHEYQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S.C20H17N5O2S.2C19H21N5O3S.C18H21N5O2S/c30-20-17-19(26-27-20)25-14-29(22(17)33)18(15-6-2-1-3-7-15)21(31)28-12-9-23(32,10-13-28)16-8-4-5-11-24-16;1-24(14-10-6-3-7-11-14)19(27)16(13-8-4-2-5-9-13)25-12-21-17-15(20(25)28)18(26)23-22-17;2*1-19(27)7-9-23(10-8-19)17(26)14(12-5-3-2-4-6-12)24-11-20-15-13(18(24)28)16(25)22-21-15;1-4-22(11(2)3)17(25)14(12-8-6-5-7-9-12)23-10-19-15-13(18(23)26)16(24)21-20-15/h1-8,11,14,18,32H,9-10,12-13H2,(H2,26,27,30);2-12,16H,1H3,(H2,22,23,26);2*2-6,11,14,27H,7-10H2,1H3,(H2,21,22,25);5-11,14H,4H2,1-3H3,(H2,20,21,24).

What are the key properties of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide?

N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide has a molecular weight of 2024.41 g/mol, XLogP of 11.43, 19 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide is sourced from PubChem (CID 91128655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).