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

C14H11ClF3N3S — CID 17024888

IUPAC6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21
InChIInChI=1S/C14H11ClF3N3S/c1-3-21-13-12(7(2)20-21)8(14(16,17)18)6-9(19-13)10-4-5-11(15)22-10/h4-6H,3H2,1-2H3
InChIKeyLJUONRDTHIJUKO-UHFFFAOYSA-N
MW345.78 g/mol
LogP5.16
Rot. Bonds2

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

6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17024888) has the molecular formula C14H11ClF3N3S and a molecular weight of 345.78 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17024888
Molecular FormulaC14H11ClF3N3S
Molecular Weight345.78 g/mol
Exact Mass345.03
IUPAC Name6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21
InChIInChI=1S/C14H11ClF3N3S/c1-3-21-13-12(7(2)20-21)8(14(16,17)18)6-9(19-13)10-4-5-11(15)22-10/h4-6H,3H2,1-2H3
InChIKeyLJUONRDTHIJUKO-UHFFFAOYSA-N
XLogP5.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.78
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17024888) is 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is LJUONRDTHIJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3S/c1-3-21-13-12(7(2)20-21)8(14(16,17)18)6-9(19-13)10-4-5-11(15)22-10/h4-6H,3H2,1-2H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 345.78 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17024888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).