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

C15H13FN4S — CID 82587826

IUPAC2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)cc1
InChIInChI=1S/C15H13FN4S/c16-11-3-1-10(2-4-11)14-12-9-17-6-5-13(12)20(19-14)15-18-7-8-21-15/h1-4,7-8,17H,5-6,9H2
InChIKeyCYMIMMDNYHKGIL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.78
Rot. Bonds2

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

2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82587826) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82587826
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)cc1
InChIInChI=1S/C15H13FN4S/c16-11-3-1-10(2-4-11)14-12-9-17-6-5-13(12)20(19-14)15-18-7-8-21-15/h1-4,7-8,17H,5-6,9H2
InChIKeyCYMIMMDNYHKGIL-UHFFFAOYSA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82587826) is 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is Fc1ccc(-c2nn(-c3nccs3)c3c2CNCC3)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is CYMIMMDNYHKGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c16-11-3-1-10(2-4-11)14-12-9-17-6-5-13(12)20(19-14)15-18-7-8-21-15/h1-4,7-8,17H,5-6,9H2.
What are the key properties of 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole has a molecular weight of 300.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82587826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).