N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C17H24N6O2S — CID 166624470

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCSCC(=O)N1CCc2c(C(=O)NCc3cnn(C)c3C)n[nH]c2C1
InChIInChI=1S/C17H24N6O2S/c1-4-26-10-15(24)23-6-5-13-14(9-23)20-21-16(13)17(25)18-7-12-8-19-22(3)11(12)2/h8H,4-7,9-10H2,1-3H3,(H,18,25)(H,20,21)
InChIKeyQHOBEJHSSGGYJY-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.02
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166624470) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166624470
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCSCC(=O)N1CCc2c(C(=O)NCc3cnn(C)c3C)n[nH]c2C1
InChIInChI=1S/C17H24N6O2S/c1-4-26-10-15(24)23-6-5-13-14(9-23)20-21-16(13)17(25)18-7-12-8-19-22(3)11(12)2/h8H,4-7,9-10H2,1-3H3,(H,18,25)(H,20,21)
InChIKeyQHOBEJHSSGGYJY-UHFFFAOYSA-N
XLogP1.02
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(2-ethoxyacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619239
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113341286
6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166623423
6-(2H-benzotriazole-5-carbonyl)-N-[(4-chloro-2-fluorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 46940811
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone
CID 103851603
N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618712
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160
formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171709657
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 68649521

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166624470) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CCSCC(=O)N1CCc2c(C(=O)NCc3cnn(C)c3C)n[nH]c2C1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is QHOBEJHSSGGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-4-26-10-15(24)23-6-5-13-14(9-23)20-21-16(13)17(25)18-7-12-8-19-22(3)11(12)2/h8H,4-7,9-10H2,1-3H3,(H,18,25)(H,20,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166624470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).