cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

C73H75N13O10S3 — CID 90706597

About cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one

cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 90706597) has the molecular formula C73H75N13O10S3 and a molecular weight of 1390.68 g/mol. Its IUPAC name is cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 90706597
• Molecular Formula: C73H75N13O10S3
• Molecular Weight: 1390.68 g/mol
• Exact Mass: 1389.49
• IUPAC Name: cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
• SMILES: C=C(O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S.CCN(CC)C(=O)C(c1ccccc1)n1ccc2[nH]ncc2c1=S.O=C(OC1CCCCC1)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=O.O=C(OC1CCCCC1)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S
• InChI: InChI=1S/C20H21N3O4.C20H21N3O3S.C18H20N4OS.C15H13N3O2S/c24-18-16-15(21-22-18)11-12-23(19(16)25)17(13-7-3-1-4-8-13)20(26)27-14-9-5-2-6-10-14;24-18-16-15(21-22-18)11-12-23(19(16)27)17(13-7-3-1-4-8-13)20(25)26-14-9-5-2-6-10-14;1-3-21(4-2)17(23)16(13-8-6-5-7-9-13)22-11-10-15-14(18(22)24)12-19-20-15;1-9(19)13(10-5-3-2-4-6-10)18-8-7-11-12(15(18)21)14(20)17-16-11/h2*1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2,(H2,21,22,24);5-12,16H,3-4H2,1-2H3,(H,19,20);2-8,13,19H,1H2,(H2,16,17,20)
• InChIKey: PVIMVSNAOPFLNB-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 304.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1390.68
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one (CID 90706597) is cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one is C=C(O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S.CCN(CC)C(=O)C(c1ccccc1)n1ccc2[nH]ncc2c1=S.O=C(OC1CCCCC1)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=O.O=C(OC1CCCCC1)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S.

What is the InChIKey of cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

The InChIKey is PVIMVSNAOPFLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.C20H21N3O3S.C18H20N4OS.C15H13N3O2S/c24-18-16-15(21-22-18)11-12-23(19(16)25)17(13-7-3-1-4-8-13)20(26)27-14-9-5-2-6-10-14;24-18-16-15(21-22-18)11-12-23(19(16)27)17(13-7-3-1-4-8-13)20(25)26-14-9-5-2-6-10-14;1-3-21(4-2)17(23)16(13-8-6-5-7-9-13)22-11-10-15-14(18(22)24)12-19-20-15;1-9(19)13(10-5-3-2-4-6-10)18-8-7-11-12(15(18)21)14(20)17-16-11/h2*1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2,(H2,21,22,24);5-12,16H,3-4H2,1-2H3,(H,19,20);2-8,13,19H,1H2,(H2,16,17,20).

What are the key properties of cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one?

cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 1390.68 g/mol, XLogP of 12.94, 16 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 2-(3,4-dioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate;N,N-diethyl-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;5-(2-hydroxy-1-phenylprop-2-enyl)-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 90706597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).