6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H22F3N3 — CID 19585668

IUPAC6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21
InChIInChI=1S/C20H22F3N3/c1-6-26-18-17(12(2)25-26)15(20(21,22)23)11-16(24-18)13-7-9-14(10-8-13)19(3,4)5/h7-11H,6H2,1-5H3
InChIKeyBVGJKIIULONRIJ-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.74
Rot. Bonds2

About 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19585668) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19585668
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21
InChIInChI=1S/C20H22F3N3/c1-6-26-18-17(12(2)25-26)15(20(21,22)23)11-16(24-18)13-7-9-14(10-8-13)19(3,4)5/h7-11H,6H2,1-5H3
InChIKeyBVGJKIIULONRIJ-UHFFFAOYSA-N
XLogP5.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19585668) is 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21.
What is the InChIKey of 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is BVGJKIIULONRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3/c1-6-26-18-17(12(2)25-26)15(20(21,22)23)11-16(24-18)13-7-9-14(10-8-13)19(3,4)5/h7-11H,6H2,1-5H3.
What are the key properties of 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 361.41 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19585668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).