6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C20H23F3N4OS — CID 55664582

IUPAC6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H23F3N4OS/c1-5-8-26(11-20(21,22)23)19(28)14-9-16(17-7-6-13(4)29-17)25-18-15(14)10-24-27(18)12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3
InChIKeyUKXGKIJMJPFEPI-UHFFFAOYSA-N
MW424.49 g/mol
LogP5.46
Rot. Bonds6

About 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55664582) has the molecular formula C20H23F3N4OS and a molecular weight of 424.49 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55664582
Molecular FormulaC20H23F3N4OS
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
InChIInChI=1S/C20H23F3N4OS/c1-5-8-26(11-20(21,22)23)19(28)14-9-16(17-7-6-13(4)29-17)25-18-15(14)10-24-27(18)12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3
InChIKeyUKXGKIJMJPFEPI-UHFFFAOYSA-N
XLogP5.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55664582) is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UKXGKIJMJPFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4OS/c1-5-8-26(11-20(21,22)23)19(28)14-9-16(17-7-6-13(4)29-17)25-18-15(14)10-24-27(18)12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3.
What are the key properties of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55664582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).