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

C25H24F3N3 — CID 19497836

IUPAC1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H24F3N3/c1-16-22-20(25(26,27)28)14-21(18-10-12-19(13-11-18)24(2,3)4)29-23(22)31(30-16)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3
InChIKeyCRNJVYVYBYVJFV-UHFFFAOYSA-N
MW423.48 g/mol
LogP6.77
Rot. Bonds3

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

1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497836) has the molecular formula C25H24F3N3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497836
Molecular FormulaC25H24F3N3
Molecular Weight423.48 g/mol
Exact Mass423.19
IUPAC Name1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(Cc2ccccc2)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H24F3N3/c1-16-22-20(25(26,27)28)14-21(18-10-12-19(13-11-18)24(2,3)4)29-23(22)31(30-16)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3
InChIKeyCRNJVYVYBYVJFV-UHFFFAOYSA-N
XLogP6.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19585668
6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497870
1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497817
1-benzyl-6-(5-chlorothiophen-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497818
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091271
1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091183
6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 29091523
1-[(4-chlorophenyl)methyl]-6-(1-ethyl-5-methylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096413
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497836) is 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(Cc2ccccc2)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is CRNJVYVYBYVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3/c1-16-22-20(25(26,27)28)14-21(18-10-12-19(13-11-18)24(2,3)4)29-23(22)31(30-16)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3.
What are the key properties of 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 423.48 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).