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

C17H16F3N3S — CID 2102156

IUPAC1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2c1cnn2C1CCCCC1
InChIInChI=1S/C17H16F3N3S/c18-17(19,20)13-9-14(15-7-4-8-24-15)22-16-12(13)10-21-23(16)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2
InChIKeyUPNWBXQCBUMTAK-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.68
Rot. Bonds2

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

1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 2102156) has the molecular formula C17H16F3N3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID2102156
Molecular FormulaC17H16F3N3S
Molecular Weight351.40 g/mol
Exact Mass351.10
IUPAC Name1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2cccs2)nc2c1cnn2C1CCCCC1
InChIInChI=1S/C17H16F3N3S/c18-17(19,20)13-9-14(15-7-4-8-24-15)22-16-12(13)10-21-23(16)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2
InChIKeyUPNWBXQCBUMTAK-UHFFFAOYSA-N
XLogP5.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 2102156) is 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2cccs2)nc2c1cnn2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is UPNWBXQCBUMTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3S/c18-17(19,20)13-9-14(15-7-4-8-24-15)22-16-12(13)10-21-23(16)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2.
What are the key properties of 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 351.40 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 2102156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).