tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)

C95H118B2ClF6N19O19S8 — CID 157434486

About tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)

tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid) (PubChem CID 157434486) has the molecular formula C95H118B2ClF6N19O19S8 and a molecular weight of 2257.70 g/mol. Its IUPAC name is tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid).

Molecular Properties

• Compound Name: tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)
• PubChem CID: 157434486
• Molecular Formula: C95H118B2ClF6N19O19S8
• Molecular Weight: 2257.70 g/mol
• Exact Mass: 2255.64
• IUPAC Name: tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)
• SMILES: C[C@@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)OC(C)(C)C.C[C@@H]1Cc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2[nH]nc(-c3ccsc3)c2CN1.C[C@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2CN1C(=O)OC(C)(C)C.OB(O)c1ccsc1.OB(O)c1ccsc1
• InChI: InChI=1S/C18H17ClN4OS.2C16H21N3O2S.2C13H18F3N3O5S.C11H13N3S.2C4H5BO2S/c1-11-7-16-15(17(22-21-16)12-5-6-25-10-12)9-23(11)18(24)20-14-4-2-3-13(19)8-14;2*1-10-7-13-12(8-19(10)15(20)21-16(2,3)4)14(18-17-13)11-5-6-22-9-11;2*1-7-5-9-8(6-19(7)11(20)23-12(2,3)4)10(18-17-9)24-25(21,22)13(14,15)16;1-7-4-10-9(5-12-7)11(14-13-10)8-2-3-15-6-8;2*6-5(7)4-1-2-8-3-4/h2-6,8,10-11H,7,9H2,1H3,(H,20,24)(H,21,22);2*5-6,9-10H,7-8H2,1-4H3,(H,17,18);2*7H,5-6H2,1-4H3,(H,17,18);2-3,6-7,12H,4-5H2,1H3,(H,13,14);2*1-3,6-7H/t11-;2*10-;3*7-;;/m010100../s1
• InChIKey: BQXXMNLLBPTUCY-QOFLJBLOSA-N
• XLogP: 18.08
• TPSA: 502.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.70
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)?

The IUPAC name of tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid) (CID 157434486) is tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid).

What is the SMILES notation for tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)?

The canonical SMILES for tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid) is C[C@@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)OC(C)(C)C.C[C@@H]1Cc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2[nH]nc(-c3ccsc3)c2CN1.C[C@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2CN1C(=O)OC(C)(C)C.OB(O)c1ccsc1.OB(O)c1ccsc1.

What is the InChIKey of tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)?

The InChIKey is BQXXMNLLBPTUCY-QOFLJBLOSA-N. The full InChI is InChI=1S/C18H17ClN4OS.2C16H21N3O2S.2C13H18F3N3O5S.C11H13N3S.2C4H5BO2S/c1-11-7-16-15(17(22-21-16)12-5-6-25-10-12)9-23(11)18(24)20-14-4-2-3-13(19)8-14;2*1-10-7-13-12(8-19(10)15(20)21-16(2,3)4)14(18-17-13)11-5-6-22-9-11;2*1-7-5-9-8(6-19(7)11(20)23-12(2,3)4)10(18-17-9)24-25(21,22)13(14,15)16;1-7-4-10-9(5-12-7)11(14-13-10)8-2-3-15-6-8;2*6-5(7)4-1-2-8-3-4/h2-6,8,10-11H,7,9H2,1H3,(H,20,24)(H,21,22);2*5-6,9-10H,7-8H2,1-4H3,(H,17,18);2*7H,5-6H2,1-4H3,(H,17,18);2-3,6-7,12H,4-5H2,1H3,(H,13,14);2*1-3,6-7H/t11-;2*10-;3*7-;;/m010100../s1.

What are the key properties of tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid)?

tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid) has a molecular weight of 2257.70 g/mol, XLogP of 18.08, 11 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6R)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6R)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-6-methyl-3-thiophen-3-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;bis(thiophen-3-ylboronic acid) is sourced from PubChem (CID 157434486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).