2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole

C15H12F2N4S — CID 82588492

IUPAC2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1cc(F)cc(-c2nn(-c3nccs3)c3c2CNCC3)c1
InChIInChI=1S/C15H12F2N4S/c16-10-5-9(6-11(17)7-10)14-12-8-18-2-1-13(12)21(20-14)15-19-3-4-22-15/h3-7,18H,1-2,8H2
InChIKeyWEZKPJZQXAEOJB-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.92
Rot. Bonds2

About 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole

2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82588492) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82588492
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1cc(F)cc(-c2nn(-c3nccs3)c3c2CNCC3)c1
InChIInChI=1S/C15H12F2N4S/c16-10-5-9(6-11(17)7-10)14-12-8-18-2-1-13(12)21(20-14)15-19-3-4-22-15/h3-7,18H,1-2,8H2
InChIKeyWEZKPJZQXAEOJB-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole 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-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82588492) is 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is Fc1cc(F)cc(-c2nn(-c3nccs3)c3c2CNCC3)c1.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is WEZKPJZQXAEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c16-10-5-9(6-11(17)7-10)14-12-8-18-2-1-13(12)21(20-14)15-19-3-4-22-15/h3-7,18H,1-2,8H2.
What are the key properties of 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole has a molecular weight of 318.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82588492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).