3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C16H16F3N3S — CID 19497851

IUPAC3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21
InChIInChI=1S/C16H16F3N3S/c1-4-7-22-15-14(10(3)21-22)11(16(17,18)19)8-12(20-15)13-6-5-9(2)23-13/h5-6,8H,4,7H2,1-3H3
InChIKeyDTYCAGIQUSZXGK-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.21
Rot. Bonds3

About 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497851) has the molecular formula C16H16F3N3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497851
Molecular FormulaC16H16F3N3S
Molecular Weight339.39 g/mol
Exact Mass339.10
IUPAC Name3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21
InChIInChI=1S/C16H16F3N3S/c1-4-7-22-15-14(10(3)21-22)11(16(17,18)19)8-12(20-15)13-6-5-9(2)23-13/h5-6,8H,4,7H2,1-3H3
InChIKeyDTYCAGIQUSZXGK-UHFFFAOYSA-N
XLogP5.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497851) is 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21.
What is the InChIKey of 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is DTYCAGIQUSZXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3S/c1-4-7-22-15-14(10(3)21-22)11(16(17,18)19)8-12(20-15)13-6-5-9(2)23-13/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 339.39 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).