5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

C101H97BrN18O10S4 — CID 91246142

About 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 91246142) has the molecular formula C101H97BrN18O10S4 and a molecular weight of 1931.17 g/mol. Its IUPAC name is 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 91246142
• Molecular Formula: C101H97BrN18O10S4
• Molecular Weight: 1931.17 g/mol
• Exact Mass: 1928.57
• IUPAC Name: 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-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(c2ccccn2)CC1.CC(=O)C1(c2ccccc2)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)(c2ccc(Br)cc2)CC1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccc2)CC1
• InChI: InChI=1S/C27H26N4O3S.C25H23BrN4O3S.C25H24N4O3S.C24H24N6OS/c1-18(32)27(20-10-6-3-7-11-20)13-16-30(17-14-27)25(34)23(19-8-4-2-5-9-19)31-15-12-21-22(26(31)35)24(33)29-28-21;26-18-8-6-17(7-9-18)25(33)11-14-29(15-12-25)23(32)21(16-4-2-1-3-5-16)30-13-10-19-20(24(30)34)22(31)28-27-19;30-22-20-19(26-27-22)11-14-29(24(20)33)21(17-7-3-1-4-8-17)23(31)28-15-12-25(32,13-16-28)18-9-5-2-6-10-18;1-17(28-13-15-29(16-14-28)20-9-5-6-11-25-20)22(18-7-3-2-4-8-18)30-12-10-19-21(24(30)32)23(31)27-26-19/h2-12,15,23H,13-14,16-17H2,1H3,(H2,28,29,33);1-10,13,21,33H,11-12,14-15H2,(H2,27,28,31);1-11,14,21,32H,12-13,15-16H2,(H2,26,27,30);2-12,22H,1,13-16H2,(H2,26,27,31)
• InChIKey: ATZUTPICYUXASS-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 352.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1931.17
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (CID 91246142) is 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-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-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-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(c2ccccn2)CC1.CC(=O)C1(c2ccccc2)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)(c2ccc(Br)cc2)CC1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccc2)CC1.

What is the InChIKey of 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The InChIKey is ATZUTPICYUXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S.C25H23BrN4O3S.C25H24N4O3S.C24H24N6OS/c1-18(32)27(20-10-6-3-7-11-20)13-16-30(17-14-27)25(34)23(19-8-4-2-5-9-19)31-15-12-21-22(26(31)35)24(33)29-28-21;26-18-8-6-17(7-9-18)25(33)11-14-29(15-12-25)23(32)21(16-4-2-1-3-5-16)30-13-10-19-20(24(30)34)22(31)28-27-19;30-22-20-19(26-27-22)11-14-29(24(20)33)21(17-7-3-1-4-8-17)23(31)28-15-12-25(32,13-16-28)18-9-5-2-6-10-18;1-17(28-13-15-29(16-14-28)20-9-5-6-11-25-20)22(18-7-3-2-4-8-18)30-12-10-19-21(24(30)32)23(31)27-26-19/h2-12,15,23H,13-14,16-17H2,1H3,(H2,28,29,33);1-10,13,21,33H,11-12,14-15H2,(H2,27,28,31);1-11,14,21,32H,12-13,15-16H2,(H2,26,27,30);2-12,22H,1,13-16H2,(H2,26,27,31).

What are the key properties of 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 1931.17 g/mol, XLogP of 15.57, 18 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 91246142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).