tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane

C140H261Cl2N23O8S14 — CID 159535199

About tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane

tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane (PubChem CID 159535199) has the molecular formula C140H261Cl2N23O8S14 and a molecular weight of 2914.62 g/mol. Its IUPAC name is tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane.

Molecular Properties

• Compound Name: tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
• PubChem CID: 159535199
• Molecular Formula: C140H261Cl2N23O8S14
• Molecular Weight: 2914.62 g/mol
• Exact Mass: 2910.62
• IUPAC Name: tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)OC(C)(C)C.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)OC(C)(C)C.S.S.S.S.S.S.S
• InChI: InChI=1S/2C19H19ClN4OS.2C17H23N3O2S.C16H21N3O2S.2C12H15N3S.28CH4.7H2S/c1-12-9-16-15(18(22-23(16)2)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14;1-12-9-16-15(18(23(2)22-16)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14;1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(18-19(13)5)14-7-6-8-23-14;1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(19(5)18-13)14-7-6-8-23-14;1-10-8-12-11(9-19(10)15(20)21-16(2,3)4)14(18-17-12)13-6-5-7-22-13;1-8-6-10-9(7-13-8)12(14-15(10)2)11-4-3-5-16-11;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*3-8,10,12H,9,11H2,1-2H3,(H,21,25);2*6-8,11H,9-10H2,1-5H3;5-7,10H,8-9H2,1-4H3,(H,17,18);2*3-5,8,13H,6-7H2,1-2H3;28*1H4;7*1H2/t2*12-;2*11-;10-;2*8-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0000000.................................../s1
• InChIKey: MDMPDXDBAQBZGK-XRPSLCGNSA-N
• XLogP: 44.01
• TPSA: 312.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 9
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2914.62
LogP ≤ 5	44.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

The IUPAC name of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane (CID 159535199) is tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane.

What is the SMILES notation for tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

The canonical SMILES for tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)OC(C)(C)C.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)OC(C)(C)C.S.S.S.S.S.S.S.

What is the InChIKey of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

The InChIKey is MDMPDXDBAQBZGK-XRPSLCGNSA-N. The full InChI is InChI=1S/2C19H19ClN4OS.2C17H23N3O2S.C16H21N3O2S.2C12H15N3S.28CH4.7H2S/c1-12-9-16-15(18(22-23(16)2)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14;1-12-9-16-15(18(23(2)22-16)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14;1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(18-19(13)5)14-7-6-8-23-14;1-11-9-13-12(10-20(11)16(21)22-17(2,3)4)15(19(5)18-13)14-7-6-8-23-14;1-10-8-12-11(9-19(10)15(20)21-16(2,3)4)14(18-17-12)13-6-5-7-22-13;1-8-6-10-9(7-13-8)12(14-15(10)2)11-4-3-5-16-11;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*3-8,10,12H,9,11H2,1-2H3,(H,21,25);2*6-8,11H,9-10H2,1-5H3;5-7,10H,8-9H2,1-4H3,(H,17,18);2*3-5,8,13H,6-7H2,1-2H3;28*1H4;7*1H2/t2*12-;2*11-;10-;2*8-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0000000.................................../s1.

What are the key properties of tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?

tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane has a molecular weight of 2914.62 g/mol, XLogP of 44.01, 9 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl (6S)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-1,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane is sourced from PubChem (CID 159535199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).