1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid

C17H22N4O4S — CID 119176695

IUPAC1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)NC3(C(=O)O)CCCC3)cc12
InChIInChI=1S/C17H22N4O4S/c1-9-11-8-12(26-15(11)21(3)20-9)14(23)18-10(2)13(22)19-17(16(24)25)6-4-5-7-17/h8,10H,4-7H2,1-3H3,(H,18,23)(H,19,22)(H,24,25)
InChIKeyQIDSREAKZQTLFN-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid

1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 119176695) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID119176695
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)NC(C)C(=O)NC3(C(=O)O)CCCC3)cc12
InChIInChI=1S/C17H22N4O4S/c1-9-11-8-12(26-15(11)21(3)20-9)14(23)18-10(2)13(22)19-17(16(24)25)6-4-5-7-17/h8,10H,4-7H2,1-3H3,(H,18,23)(H,19,22)(H,24,25)
InChIKeyQIDSREAKZQTLFN-UHFFFAOYSA-N
XLogP1.58
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-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-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid (CID 119176695) is 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid is Cc1nn(C)c2sc(C(=O)NC(C)C(=O)NC3(C(=O)O)CCCC3)cc12.
What is the InChIKey of 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QIDSREAKZQTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-9-11-8-12(26-15(11)21(3)20-9)14(23)18-10(2)13(22)19-17(16(24)25)6-4-5-7-17/h8,10H,4-7H2,1-3H3,(H,18,23)(H,19,22)(H,24,25).
What are the key properties of 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 378.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).