(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;methane;sulfane

C46H74Cl2N8O2S4 — CID 158079275

IUPAC(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;methane;sulfane
SMILESC.C.C.C.C.C.C.C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.S.S
InChIInChI=1S/2C19H19ClN4OS.8CH4.2H2S/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;;;;;;;;;;/h2*3-8,10,12H,9,11H2,1-2H3,(H,21,25);8*1H4;2*1H2/t2*12-;;;;;;;;;;/m00........../s1
InChIKeyFMTCAYSQIZQCAM-VHZIPDCRSA-N
MW970.33 g/mol
LogP14.88
Rot. Bonds4

About (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;methane;sulfane

(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;methane;sulfane (PubChem CID 158079275) has the molecular formula C46H74Cl2N8O2S4 and a molecular weight of 970.33 g/mol. Its IUPAC name is (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;methane;sulfane.

Molecular Properties

Compound Name(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;methane;sulfane
PubChem CID158079275
Molecular FormulaC46H74Cl2N8O2S4
Molecular Weight970.33 g/mol
Exact Mass968.42
IUPAC Name(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;methane;sulfane
SMILESC.C.C.C.C.C.C.C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.S.S
InChIInChI=1S/2C19H19ClN4OS.8CH4.2H2S/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;;;;;;;;;;/h2*3-8,10,12H,9,11H2,1-2H3,(H,21,25);8*1H4;2*1H2/t2*12-;;;;;;;;;;/m00........../s1
InChIKeyFMTCAYSQIZQCAM-VHZIPDCRSA-N
XLogP14.88
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.33
LogP ≤ 514.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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;methane;sulfane with MolForge

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Related Compounds

(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
(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
N-(3-chlorophenyl)-6-methyl-3-(3-thienyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435072
N-(3-chlorophenyl)-6-methyl-3-(2-thienyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435131
N-(3-chlorophenyl)-1,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442831
N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442832
(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442870
(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442871
(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442874

Frequently Asked Questions

What is the IUPAC name of (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;methane;sulfane?
The IUPAC name of (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;methane;sulfane (CID 158079275) is (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;methane;sulfane.
What is the SMILES notation for (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;methane;sulfane?
The canonical SMILES for (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;methane;sulfane is C.C.C.C.C.C.C.C.C[C@H]1Cc2c(c(-c3cccs3)nn2C)CN1C(=O)Nc1cccc(Cl)c1.C[C@H]1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.S.S.
What is the InChIKey of (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;methane;sulfane?
The InChIKey is FMTCAYSQIZQCAM-VHZIPDCRSA-N. The full InChI is InChI=1S/2C19H19ClN4OS.8CH4.2H2S/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;;;;;;;;;;/h2*3-8,10,12H,9,11H2,1-2H3,(H,21,25);8*1H4;2*1H2/t2*12-;;;;;;;;;;/m00........../s1.
What are the key properties of (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;methane;sulfane?
(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;methane;sulfane has a molecular weight of 970.33 g/mol, XLogP of 14.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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;methane;sulfane is sourced from PubChem (CID 158079275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).