1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C14H22N4O4S — CID 167800615

IUPAC1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3C)C2)CC1
InChIInChI=1S/C14H22N4O4S/c1-10-3-6-17(7-4-10)23(21,22)18-8-5-12-11(9-18)13(14(19)20)15-16(12)2/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyQFWKYFKFXZXVNF-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.45
Rot. Bonds3

About 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 167800615) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID167800615
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3C)C2)CC1
InChIInChI=1S/C14H22N4O4S/c1-10-3-6-17(7-4-10)23(21,22)18-8-5-12-11(9-18)13(14(19)20)15-16(12)2/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyQFWKYFKFXZXVNF-UHFFFAOYSA-N
XLogP0.45
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 167800615) is 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3C)C2)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is QFWKYFKFXZXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-10-3-6-17(7-4-10)23(21,22)18-8-5-12-11(9-18)13(14(19)20)15-16(12)2/h10H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 167800615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).