[2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate

C95H75F3N22O10S7 — CID 159801551

About [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate

[2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 159801551) has the molecular formula C95H75F3N22O10S7 and a molecular weight of 1966.25 g/mol. Its IUPAC name is [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 159801551
• Molecular Formula: C95H75F3N22O10S7
• Molecular Weight: 1966.25 g/mol
• Exact Mass: 1964.40
• IUPAC Name: [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: CC(C)C(C)Sc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.CCSc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCC4)nc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCCC4)nc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ncc(C(F)(F)F)cc32)n1
• InChI: InChI=1S/C21H20N4O2S2.C20H17N5O2S.C19H15N5O2S.C18H14N4O2S2.C17H9F3N4O2S/c1-13(2)14(3)29-18-10-9-16-19(15-7-5-4-6-8-15)24-25(20(16)23-18)21-22-17(11-28-21)27-12-26;26-13-27-17-12-28-20(22-17)25-19-15(18(23-25)14-6-2-1-3-7-14)8-9-16(21-19)24-10-4-5-11-24;25-12-26-16-11-27-19(21-16)24-18-14(7-8-15(20-18)23-9-4-10-23)17(22-24)13-5-2-1-3-6-13;1-2-25-15-9-8-13-16(12-6-4-3-5-7-12)21-22(17(13)20-15)18-19-14(10-26-18)24-11-23;18-17(19,20)11-6-12-15(21-7-11)14(10-4-2-1-3-5-10)23-24(12)16-22-13(8-27-16)26-9-25/h4-14H,1-3H3;1-3,6-9,12-13H,4-5,10-11H2;1-3,5-8,11-12H,4,9-10H2;3-11H,2H2,1H3;1-9H
• InChIKey: NJVXVHLJEWGVRP-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 355.98 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.25
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

The IUPAC name of [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (CID 159801551) is [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.

What is the SMILES notation for [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

The canonical SMILES for [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is CC(C)C(C)Sc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.CCSc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCC4)nc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCCC4)nc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ncc(C(F)(F)F)cc32)n1.

What is the InChIKey of [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is NJVXVHLJEWGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2.C20H17N5O2S.C19H15N5O2S.C18H14N4O2S2.C17H9F3N4O2S/c1-13(2)14(3)29-18-10-9-16-19(15-7-5-4-6-8-15)24-25(20(16)23-18)21-22-17(11-28-21)27-12-26;26-13-27-17-12-28-20(22-17)25-19-15(18(23-25)14-6-2-1-3-7-14)8-9-16(21-19)24-10-4-5-11-24;25-12-26-16-11-27-19(21-16)24-18-14(7-8-15(20-18)23-9-4-10-23)17(22-24)13-5-2-1-3-6-13;1-2-25-15-9-8-13-16(12-6-4-3-5-7-12)21-22(17(13)20-15)18-19-14(10-26-18)24-11-23;18-17(19,20)11-6-12-15(21-7-11)14(10-4-2-1-3-5-10)23-24(12)16-22-13(8-27-16)26-9-25/h4-14H,1-3H3;1-3,6-9,12-13H,4-5,10-11H2;1-3,5-8,11-12H,4,9-10H2;3-11H,2H2,1H3;1-9H.

What are the key properties of [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

[2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 1966.25 g/mol, XLogP of 20.47, 27 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(azetidin-1-yl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 159801551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).