methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate

C14H15N3O3S — CID 84580210

IUPACmethyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C14H15N3O3S/c1-20-14(19)13-10-4-5-17(8-11(10)15-16-13)12(18)7-9-3-2-6-21-9/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyPWHSZJAFPQYJJB-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.39
Rot. Bonds3

About methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate

methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 84580210) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID84580210
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C14H15N3O3S/c1-20-14(19)13-10-4-5-17(8-11(10)15-16-13)12(18)7-9-3-2-6-21-9/h2-3,6H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyPWHSZJAFPQYJJB-UHFFFAOYSA-N
XLogP1.39
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(R)-1'-{[3-(2-thienyl)-5-pyrazolyl]carbonyl}-3H-spiro[isobenzofuran-1,3'-piperidin]-3-one
CID 99983761
ethyl 1-ethyl-5-{[3-(3-thienyl)-1H-pyrazol-5-yl]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139411
ethyl 1-(3-methylbutyl)-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26144037
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56744209
1-[(5-propyl-1H-pyrazol-3-yl)carbonyl]-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 135102517
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 69250579
ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
CID 69253669
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 17452390
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 24652995
ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26143384
ethyl 1-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26147176
ethyl 1-(3-methylbutyl)-5-{[3-(3-thienyl)-1H-pyrazol-5-yl]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223536

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 84580210) is methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CCN(C(=O)Cc1cccs1)C2.
What is the InChIKey of methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is PWHSZJAFPQYJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-20-14(19)13-10-4-5-17(8-11(10)15-16-13)12(18)7-9-3-2-6-21-9/h2-3,6H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 84580210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).