1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C19H26N4O2S — CID 131905950

IUPAC1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCN(Cc1cc(CN3CCCCC3)cs1)C2
InChIInChI=1S/C19H26N4O2S/c1-21-17-5-8-23(12-16(17)18(20-21)19(24)25)11-15-9-14(13-26-15)10-22-6-3-2-4-7-22/h9,13H,2-8,10-12H2,1H3,(H,24,25)
InChIKeyOXNDFWJUBBAHAJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 131905950) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID131905950
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCN(Cc1cc(CN3CCCCC3)cs1)C2
InChIInChI=1S/C19H26N4O2S/c1-21-17-5-8-23(12-16(17)18(20-21)19(24)25)11-15-9-14(13-26-15)10-22-6-3-2-4-7-22/h9,13H,2-8,10-12H2,1H3,(H,24,25)
InChIKeyOXNDFWJUBBAHAJ-UHFFFAOYSA-N
XLogP2.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-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-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 131905950) is 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCN(Cc1cc(CN3CCCCC3)cs1)C2.
What is the InChIKey of 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is OXNDFWJUBBAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-21-17-5-8-23(12-16(17)18(20-21)19(24)25)11-15-9-14(13-26-15)10-22-6-3-2-4-7-22/h9,13H,2-8,10-12H2,1H3,(H,24,25).
What are the key properties of 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 374.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 131905950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).