5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

C95H97N19O9S4 — CID 91610004

About 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 91610004) has the molecular formula C95H97N19O9S4 and a molecular weight of 1777.21 g/mol. Its IUPAC name is 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 91610004
• Molecular Formula: C95H97N19O9S4
• Molecular Weight: 1777.21 g/mol
• Exact Mass: 1775.66
• IUPAC Name: 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
• SMILES: C=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCN(c2ccc(OC)cc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCN(c2ccccc2)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1
• InChI: InChI=1S/C26H27N5O2S.C25H25N5OS.C24H23N5O3S.C20H22N4O3S/c1-18(29-14-16-30(17-15-29)20-8-10-21(33-2)11-9-20)24(19-6-4-3-5-7-19)31-13-12-22-23(26(31)34)25(32)28-27-22;1-18(28-14-16-29(17-15-28)20-10-6-3-7-11-20)23(19-8-4-2-5-9-19)30-13-12-21-22(25(30)32)24(31)27-26-21;30-21-19-17(26-27-21)9-13-29(23(19)33)20(16-6-2-1-3-7-16)22(31)28-14-10-24(32,11-15-28)18-8-4-5-12-25-18;1-20(27)8-11-23(12-9-20)18(26)16(13-5-3-2-4-6-13)24-10-7-14-15(19(24)28)17(25)22-21-14/h3-13,24H,1,14-17H2,2H3,(H2,27,28,32);2-13,23H,1,14-17H2,(H2,26,27,31);1-9,12-13,20,32H,10-11,14-15H2,(H2,26,27,30);2-7,10,16,27H,8-9,11-12H2,1H3,(H2,21,22,25)
• InChIKey: MYRYSWWDUUCCFX-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 330.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1777.21
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (CID 91610004) is 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one is C=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCN(c2ccc(OC)cc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCN(c2ccccc2)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1.

What is the InChIKey of 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The InChIKey is MYRYSWWDUUCCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S.C25H25N5OS.C24H23N5O3S.C20H22N4O3S/c1-18(29-14-16-30(17-15-29)20-8-10-21(33-2)11-9-20)24(19-6-4-3-5-7-19)31-13-12-22-23(26(31)34)25(32)28-27-22;1-18(28-14-16-29(17-15-28)20-10-6-3-7-11-20)23(19-8-4-2-5-9-19)30-13-12-21-22(25(30)32)24(31)27-26-21;30-21-19-17(26-27-21)9-13-29(23(19)33)20(16-6-2-1-3-7-16)22(31)28-14-10-24(32,11-15-28)18-8-4-5-12-25-18;1-20(27)8-11-23(12-9-20)18(26)16(13-5-3-2-4-6-13)24-10-7-14-15(19(24)28)17(25)22-21-14/h3-13,24H,1,14-17H2,2H3,(H2,27,28,32);2-13,23H,1,14-17H2,(H2,26,27,31);1-9,12-13,20,32H,10-11,14-15H2,(H2,26,27,30);2-7,10,16,27H,8-9,11-12H2,1H3,(H2,21,22,25).

What are the key properties of 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 1777.21 g/mol, XLogP of 13.87, 18 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 91610004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).