3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

C14H9N5OS — CID 135567071

IUPAC3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESO=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2[nH]1
InChIInChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
InChIKeyJCIZDZAGSUATFA-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.44
Rot. Bonds2

About 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135567071) has the molecular formula C14H9N5OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135567071
Molecular FormulaC14H9N5OS
Molecular Weight295.33 g/mol
Exact Mass295.05
IUPAC Name3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESO=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2[nH]1
InChIInChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
InChIKeyJCIZDZAGSUATFA-UHFFFAOYSA-N
XLogP2.44
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one 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 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (CID 135567071) is 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is O=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2[nH]1.
What is the InChIKey of 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is JCIZDZAGSUATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20).
What are the key properties of 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 295.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135567071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).