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

C41H78ClN7OS4 — CID 158374406

IUPAC(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
SMILESC.C.C.C.C.C.C.C.C.C.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.S.S
InChIInChI=1S/C19H19ClN4OS.C12H15N3S.10CH4.2H2S/c1-12-9-16-15(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;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;/h3-8,10,12H,9,11H2,1-2H3,(H,21,25);3-5,8,13H,6-7H2,1-2H3;10*1H4;2*1H2/t12-;8-;;;;;;;;;;;;/m00............/s1
InChIKeyGVAAMHYGVLDSQD-OIIPXCBVSA-N
MW848.84 g/mol
LogP13.55
Rot. Bonds3

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

(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane (PubChem CID 158374406) has the molecular formula C41H78ClN7OS4 and a molecular weight of 848.84 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
PubChem CID158374406
Molecular FormulaC41H78ClN7OS4
Molecular Weight848.84 g/mol
Exact Mass847.48
IUPAC Name(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane
SMILESC.C.C.C.C.C.C.C.C.C.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.S.S
InChIInChI=1S/C19H19ClN4OS.C12H15N3S.10CH4.2H2S/c1-12-9-16-15(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;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;/h3-8,10,12H,9,11H2,1-2H3,(H,21,25);3-5,8,13H,6-7H2,1-2H3;10*1H4;2*1H2/t12-;8-;;;;;;;;;;;;/m00............/s1
InChIKeyGVAAMHYGVLDSQD-OIIPXCBVSA-N
XLogP13.55
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.84
LogP ≤ 513.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane with MolForge

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Related Compounds

N-(3-chlorophenyl)-3-(3-thienyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435049
(6S)-N-(3-chlorophenyl)-1,6-dimethyl-3-(2-thienyl)-6,7-dihydro-4H-pyrazolo [4,3-c]pyridine-5-carboxamide
CID 121435061
(6S)-N-(3-chlorophenyl)-6-methyl-3-(2-thienyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435123
(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-(2-thienyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435143
N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442818
N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442813
N-(3-chloro-4-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442829
(6S)-N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442875
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442883
(6R)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442889
(2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-[4-(2-phenylethyl)-2-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propyl]disulfanyl]-1-[4-(2-phenylethyl)-2-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 25254516
(2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-[4-(2-phenylethyl)-2-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propyl]disulfanyl]-1-[4-(2-phenylethyl)-2-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one;hydrochloride
CID 87472209

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?
The IUPAC name of (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane (CID 158374406) is (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(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 (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(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@H]1Cc2nn(C)c(-c3cccs3)c2CN1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.S.S.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?
The InChIKey is GVAAMHYGVLDSQD-OIIPXCBVSA-N. The full InChI is InChI=1S/C19H19ClN4OS.C12H15N3S.10CH4.2H2S/c1-12-9-16-15(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;1-8-6-10-9(7-13-8)12(15(2)14-10)11-4-3-5-16-11;;;;;;;;;;;;/h3-8,10,12H,9,11H2,1-2H3,(H,21,25);3-5,8,13H,6-7H2,1-2H3;10*1H4;2*1H2/t12-;8-;;;;;;;;;;;;/m00............/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane?
(6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane has a molecular weight of 848.84 g/mol, XLogP of 13.55, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;(6S)-2,6-dimethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methane;sulfane is sourced from PubChem (CID 158374406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).