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

C16H15FN4S — CID 82587964

IUPAC2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(Cc2nn(-c3nccs3)c3c2CNCC3)cc1
InChIInChI=1S/C16H15FN4S/c17-12-3-1-11(2-4-12)9-14-13-10-18-6-5-15(13)21(20-14)16-19-7-8-22-16/h1-4,7-8,18H,5-6,9-10H2
InChIKeyWKQLZRNOPBXVTD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.70
Rot. Bonds3

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

2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (PubChem CID 82587964) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
PubChem CID82587964
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
SMILESFc1ccc(Cc2nn(-c3nccs3)c3c2CNCC3)cc1
InChIInChI=1S/C16H15FN4S/c17-12-3-1-11(2-4-12)9-14-13-10-18-6-5-15(13)21(20-14)16-19-7-8-22-16/h1-4,7-8,18H,5-6,9-10H2
InChIKeyWKQLZRNOPBXVTD-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.70
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)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole (CID 82587964) is 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is Fc1ccc(Cc2nn(-c3nccs3)c3c2CNCC3)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
The InChIKey is WKQLZRNOPBXVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c17-12-3-1-11(2-4-12)9-14-13-10-18-6-5-15(13)21(20-14)16-19-7-8-22-16/h1-4,7-8,18H,5-6,9-10H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole?
2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole has a molecular weight of 314.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole is sourced from PubChem (CID 82587964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).