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

C20H22F3N3 — CID 19589079

IUPAC1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21
InChIInChI=1S/C20H22F3N3/c1-5-6-9-26-19-18(14(4)25-26)16(20(21,22)23)11-17(24-19)15-8-7-12(2)13(3)10-15/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyWJXGXVSWFVUUFN-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.84
Rot. Bonds4

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

1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19589079) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19589079
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21
InChIInChI=1S/C20H22F3N3/c1-5-6-9-26-19-18(14(4)25-26)16(20(21,22)23)11-17(24-19)15-8-7-12(2)13(3)10-15/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyWJXGXVSWFVUUFN-UHFFFAOYSA-N
XLogP5.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19589079) is 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21.
What is the InChIKey of 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WJXGXVSWFVUUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3/c1-5-6-9-26-19-18(14(4)25-26)16(20(21,22)23)11-17(24-19)15-8-7-12(2)13(3)10-15/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 361.41 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19589079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).