2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate

C17H15N4O3S- — CID 46924854

IUPAC2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate
SMILESCOCCn1c([O-])cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C
InChIInChI=1S/C17H16N4O3S/c1-10-15-12(9-14(22)20(10)7-8-24-2)19-21(16(15)23)17-18-11-5-3-4-6-13(11)25-17/h3-6,9,22H,7-8H2,1-2H3/p-1
InChIKeyDZZMPHSMSHYKKR-UHFFFAOYSA-M
MW355.40 g/mol
LogP1.78
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate

2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate (PubChem CID 46924854) has the molecular formula C17H15N4O3S- and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate
PubChem CID46924854
Molecular FormulaC17H15N4O3S-
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate
SMILESCOCCn1c([O-])cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C
InChIInChI=1S/C17H16N4O3S/c1-10-15-12(9-14(22)20(10)7-8-24-2)19-21(16(15)23)17-18-11-5-3-4-6-13(11)25-17/h3-6,9,22H,7-8H2,1-2H3/p-1
InChIKeyDZZMPHSMSHYKKR-UHFFFAOYSA-M
XLogP1.78
TPSA85.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate 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)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate (CID 46924854) is 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate is COCCn1c([O-])cc2nn(-c3nc4ccccc4s3)c(=O)c-2c1C.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate?
The InChIKey is DZZMPHSMSHYKKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16N4O3S/c1-10-15-12(9-14(22)20(10)7-8-24-2)19-21(16(15)23)17-18-11-5-3-4-6-13(11)25-17/h3-6,9,22H,7-8H2,1-2H3/p-1.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate?
2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate has a molecular weight of 355.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate is sourced from PubChem (CID 46924854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).