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

C16H15FN4S — CID 26391289

IUPAC2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESFc1cccc(-c2n[nH]c3c2CN(Cc2nccs2)CC3)c1
InChIInChI=1S/C16H15FN4S/c17-12-3-1-2-11(8-12)16-13-9-21(6-4-14(13)19-20-16)10-15-18-5-7-22-15/h1-3,5,7-8H,4,6,9-10H2,(H,19,20)
InChIKeyQKBNBKNPWDQYSB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.23
Rot. Bonds3

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

2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole (PubChem CID 26391289) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
PubChem CID26391289
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESFc1cccc(-c2n[nH]c3c2CN(Cc2nccs2)CC3)c1
InChIInChI=1S/C16H15FN4S/c17-12-3-1-2-11(8-12)16-13-9-21(6-4-14(13)19-20-16)10-15-18-5-7-22-15/h1-3,5,7-8H,4,6,9-10H2,(H,19,20)
InChIKeyQKBNBKNPWDQYSB-UHFFFAOYSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole (CID 26391289) is 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole is Fc1cccc(-c2n[nH]c3c2CN(Cc2nccs2)CC3)c1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
The InChIKey is QKBNBKNPWDQYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c17-12-3-1-2-11(8-12)16-13-9-21(6-4-14(13)19-20-16)10-15-18-5-7-22-15/h1-3,5,7-8H,4,6,9-10H2,(H,19,20).
What are the key properties of 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole?
2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole has a molecular weight of 314.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 26391289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).