2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C18H18N4O3S — CID 17020021

IUPAC2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCOC
InChIInChI=1S/C18H18N4O3S/c1-3-13-16-12(10-15(23)21(13)8-9-25-2)20-22(17(16)24)18-19-11-6-4-5-7-14(11)26-18/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeyYGXAYPWLSCJZRQ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.30
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 17020021) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID17020021
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCOC
InChIInChI=1S/C18H18N4O3S/c1-3-13-16-12(10-15(23)21(13)8-9-25-2)20-22(17(16)24)18-19-11-6-4-5-7-14(11)26-18/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeyYGXAYPWLSCJZRQ-UHFFFAOYSA-N
XLogP2.30
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione 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 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 17020021) is 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCOC.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is YGXAYPWLSCJZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-13-16-12(10-15(23)21(13)8-9-25-2)20-22(17(16)24)18-19-11-6-4-5-7-14(11)26-18/h4-7,10,20H,3,8-9H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 370.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 17020021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).