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

C19H20F3N3 — CID 19497843

IUPAC6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21
InChIInChI=1S/C19H20F3N3/c1-5-8-25-18-17(13(4)24-25)15(19(20,21)22)10-16(23-18)14-7-6-11(2)12(3)9-14/h6-7,9-10H,5,8H2,1-4H3
InChIKeyIRMXNOFTPFJDPP-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.45
Rot. Bonds3

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

6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497843) has the molecular formula C19H20F3N3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497843
Molecular FormulaC19H20F3N3
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21
InChIInChI=1S/C19H20F3N3/c1-5-8-25-18-17(13(4)24-25)15(19(20,21)22)10-16(23-18)14-7-6-11(2)12(3)9-14/h6-7,9-10H,5,8H2,1-4H3
InChIKeyIRMXNOFTPFJDPP-UHFFFAOYSA-N
XLogP5.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497843) is 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21.
What is the InChIKey of 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is IRMXNOFTPFJDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3/c1-5-8-25-18-17(13(4)24-25)15(19(20,21)22)10-16(23-18)14-7-6-11(2)12(3)9-14/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 347.38 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).