1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C17H11F3N4S — CID 2465725

IUPAC1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C17H11F3N4S/c18-17(19,20)13-7-14(15-4-2-6-25-15)23-16-12(13)9-22-24(16)10-11-3-1-5-21-8-11/h1-9H,10H2
InChIKeyIAMZJFCPXZQNTF-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.62
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 2465725) has the molecular formula C17H11F3N4S and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID2465725
Molecular FormulaC17H11F3N4S
Molecular Weight360.36 g/mol
Exact Mass360.07
IUPAC Name1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1cccnc1
InChIInChI=1S/C17H11F3N4S/c18-17(19,20)13-7-14(15-4-2-6-25-15)23-16-12(13)9-22-24(16)10-11-3-1-5-21-8-11/h1-9H,10H2
InChIKeyIAMZJFCPXZQNTF-UHFFFAOYSA-N
XLogP4.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 2465725) is 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2cccs2)nc2c1cnn2Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is IAMZJFCPXZQNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4S/c18-17(19,20)13-7-14(15-4-2-6-25-15)23-16-12(13)9-22-24(16)10-11-3-1-5-21-8-11/h1-9H,10H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 360.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 2465725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).