4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine

C17H10F3N3S — CID 29096020

IUPAC4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
SMILESFc1ccccc1-n1ncc2c(C(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C17H10F3N3S/c18-12-4-1-2-5-14(12)23-17-11(9-21-23)10(16(19)20)8-13(22-17)15-6-3-7-24-15/h1-9,16H
InChIKeyXHDHVTGPXXFJQY-UHFFFAOYSA-N
MW345.35 g/mol
LogP5.23
Rot. Bonds3

About 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine

4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 29096020) has the molecular formula C17H10F3N3S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
PubChem CID29096020
Molecular FormulaC17H10F3N3S
Molecular Weight345.35 g/mol
Exact Mass345.05
IUPAC Name4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
SMILESFc1ccccc1-n1ncc2c(C(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C17H10F3N3S/c18-12-4-1-2-5-14(12)23-17-11(9-21-23)10(16(19)20)8-13(22-17)15-6-3-7-24-15/h1-9,16H
InChIKeyXHDHVTGPXXFJQY-UHFFFAOYSA-N
XLogP5.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2164249
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CID 5329467
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CID 5329472
CID 5329472
CID 1474449
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CID 1988312
CID 1988312
CID 2818919
CID 2818919
CID 2819639
CID 2819639
CID 7162108
CID 7162108
CID 16194785
CID 16194785
CID 3011486
CID 3011486
CID 10475216
CID 10475216
CID 11738454
CID 11738454

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine (CID 29096020) is 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine is Fc1ccccc1-n1ncc2c(C(F)F)cc(-c3cccs3)nc21.
What is the InChIKey of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is XHDHVTGPXXFJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3S/c18-12-4-1-2-5-14(12)23-17-11(9-21-23)10(16(19)20)8-13(22-17)15-6-3-7-24-15/h1-9,16H.
What are the key properties of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 345.35 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29096020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).