1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione

C102H102N20O3S4 — CID 91079649

About 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione

1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione (PubChem CID 91079649) has the molecular formula C102H102N20O3S4 and a molecular weight of 1784.34 g/mol. Its IUPAC name is 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione.

Molecular Properties

• Compound Name: 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione
• PubChem CID: 91079649
• Molecular Formula: C102H102N20O3S4
• Molecular Weight: 1784.34 g/mol
• Exact Mass: 1782.73
• IUPAC Name: 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione
• SMILES: C=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccc(OC)cc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccn2)CC1.CC(=O)C1(c2ccccc2)CCN(C(=O)C(c2ccccc2)n2ccc3[nH]ncc3c2=S)CC1
• InChI: InChI=1S/C27H26N4O2S.C26H27N5OS.C25H25N5S.C24H24N6S/c1-19(32)27(21-10-6-3-7-11-21)13-16-30(17-14-27)25(33)24(20-8-4-2-5-9-20)31-15-12-23-22(26(31)34)18-28-29-23;1-19(29-14-16-30(17-15-29)21-8-10-22(32-2)11-9-21)25(20-6-4-3-5-7-20)31-13-12-24-23(26(31)33)18-27-28-24;1-19(28-14-16-29(17-15-28)21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)30-13-12-23-22(25(30)31)18-26-27-23;1-18(28-13-15-29(16-14-28)22-9-5-6-11-25-22)23(19-7-3-2-4-8-19)30-12-10-21-20(24(30)31)17-26-27-21/h2-12,15,18,24H,13-14,16-17H2,1H3,(H,28,29);3-13,18,25H,1,14-17H2,2H3,(H,27,28);2-13,18,24H,1,14-17H2,(H,26,27);2-12,17,23H,1,13-16H2,(H,26,27)
• InChIKey: PSLIJMBRHGRTJF-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 213.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.34
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	4
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 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione?

The IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione (CID 91079649) is 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione.

What is the SMILES notation for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione?

The canonical SMILES for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione is C=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccc(OC)cc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccc2)CC1.C=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccn2)CC1.CC(=O)C1(c2ccccc2)CCN(C(=O)C(c2ccccc2)n2ccc3[nH]ncc3c2=S)CC1.

What is the InChIKey of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione?

The InChIKey is PSLIJMBRHGRTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S.C26H27N5OS.C25H25N5S.C24H24N6S/c1-19(32)27(21-10-6-3-7-11-21)13-16-30(17-14-27)25(33)24(20-8-4-2-5-9-20)31-15-12-23-22(26(31)34)18-28-29-23;1-19(29-14-16-30(17-15-29)21-8-10-22(32-2)11-9-21)25(20-6-4-3-5-7-20)31-13-12-24-23(26(31)33)18-27-28-24;1-19(28-14-16-29(17-15-28)21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)30-13-12-23-22(25(30)31)18-26-27-23;1-18(28-13-15-29(16-14-28)22-9-5-6-11-25-22)23(19-7-3-2-4-8-19)30-12-10-21-20(24(30)31)17-26-27-21/h2-12,15,18,24H,13-14,16-17H2,1H3,(H,28,29);3-13,18,25H,1,14-17H2,2H3,(H,27,28);2-13,18,24H,1,14-17H2,(H,26,27);2-12,17,23H,1,13-16H2,(H,26,27).

What are the key properties of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione?

1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione has a molecular weight of 1784.34 g/mol, XLogP of 19.29, 21 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione;5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-1H-pyrazolo[4,5-c]pyridine-4-thione is sourced from PubChem (CID 91079649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).