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-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-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

C102H102N20O7S4 — CID 159450380

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-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-[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-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-[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 159450380) has the molecular formula C102H102N20O7S4 and a molecular weight of 1848.34 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-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-[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-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-[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: 159450380
• Molecular Formula: C102H102N20O7S4
• Molecular Weight: 1848.34 g/mol
• Exact Mass: 1846.71
• 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-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-[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(c2ccc(OC)cc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCN(c2ccccc2)CC1.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
• InChI: InChI=1S/C27H26N4O3S.C26H27N5O2S.C25H25N5OS.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;1-18(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;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);3-13,24H,1,14-17H2,2H3,(H2,27,28,32);2-13,23H,1,14-17H2,(H2,26,27,31);2-12,22H,1,13-16H2,(H2,26,27,31)
• InChIKey: LTHJGRZWWAVMBG-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 293.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1848.34
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	8
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-acetyl-4-phenylpiperidin-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-[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-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-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (CID 159450380) 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-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-[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-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-[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-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-[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(c2ccc(OC)cc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCN(c2ccccc2)CC1.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.

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-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-[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 LTHJGRZWWAVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S.C26H27N5O2S.C25H25N5OS.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;1-18(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;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);3-13,24H,1,14-17H2,2H3,(H2,27,28,32);2-13,23H,1,14-17H2,(H2,26,27,31);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-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-[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-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-[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 1848.34 g/mol, XLogP of 16.47, 21 rotatable bonds, 8 hydrogen bond donors, and 22 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-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-[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 159450380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).