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

C15H12F2N4S — CID 82588516

IUPAC2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)c(F)c1
InChIInChI=1S/C15H12F2N4S/c16-9-1-2-10(12(17)7-9)14-11-8-18-4-3-13(11)21(20-14)15-19-5-6-22-15/h1-2,5-7,18H,3-4,8H2
InChIKeyOQMOMCYRTWCJDZ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.92
Rot. Bonds2

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

2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82588516) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82588516
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)c(F)c1
InChIInChI=1S/C15H12F2N4S/c16-9-1-2-10(12(17)7-9)14-11-8-18-4-3-13(11)21(20-14)15-19-5-6-22-15/h1-2,5-7,18H,3-4,8H2
InChIKeyOQMOMCYRTWCJDZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82588516) is 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is Fc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)c(F)c1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is OQMOMCYRTWCJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c16-9-1-2-10(12(17)7-9)14-11-8-18-4-3-13(11)21(20-14)15-19-5-6-22-15/h1-2,5-7,18H,3-4,8H2.
What are the key properties of 2-[3-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-(2,4-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-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82588516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).