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

C21H24F3N3 — CID 19497870

IUPAC6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21
InChIInChI=1S/C21H24F3N3/c1-6-11-27-19-18(13(2)26-27)16(21(22,23)24)12-17(25-19)14-7-9-15(10-8-14)20(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyPMLPWYGKLQIWCY-UHFFFAOYSA-N
MW375.44 g/mol
LogP6.13
Rot. Bonds3

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

6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497870) has the molecular formula C21H24F3N3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497870
Molecular FormulaC21H24F3N3
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21
InChIInChI=1S/C21H24F3N3/c1-6-11-27-19-18(13(2)26-27)16(21(22,23)24)12-17(25-19)14-7-9-15(10-8-14)20(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyPMLPWYGKLQIWCY-UHFFFAOYSA-N
XLogP6.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19585668
1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497836
3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497851
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
4-[1-benzyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135562179
1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19589252
6-(4-bromophenyl)-3-methyl-1-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 2100903
3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate
CID 2367345
6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 2123516
1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091183
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091271

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497870) is 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21.
What is the InChIKey of 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is PMLPWYGKLQIWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3/c1-6-11-27-19-18(13(2)26-27)16(21(22,23)24)12-17(25-19)14-7-9-15(10-8-14)20(3,4)5/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 375.44 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).