ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

C18H14N4O3S — CID 71797812

IUPACethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3nc4ccccc4s3)cc12
InChIInChI=1S/C18H14N4O3S/c1-2-25-18(24)12-10-19-22-8-7-11(9-14(12)22)20-16(23)17-21-13-5-3-4-6-15(13)26-17/h3-10H,2H2,1H3,(H,20,23)
InChIKeyDIHZGJRNILSHET-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.37
Rot. Bonds4

About ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797812) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797812
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Nameethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3nc4ccccc4s3)cc12
InChIInChI=1S/C18H14N4O3S/c1-2-25-18(24)12-10-19-22-8-7-11(9-14(12)22)20-16(23)17-21-13-5-3-4-6-15(13)26-17/h3-10H,2H2,1H3,(H,20,23)
InChIKeyDIHZGJRNILSHET-UHFFFAOYSA-N
XLogP3.37
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797812) is ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3nc4ccccc4s3)cc12.
What is the InChIKey of ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is DIHZGJRNILSHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-2-25-18(24)12-10-19-22-8-7-11(9-14(12)22)20-16(23)17-21-13-5-3-4-6-15(13)26-17/h3-10H,2H2,1H3,(H,20,23).
What are the key properties of ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3-benzothiazole-2-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).