6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C22H18F3N3O2 — CID 29090878

IUPAC6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccccc4OC)nc32)cc1
InChIInChI=1S/C22H18F3N3O2/c1-13-20-17(22(23,24)25)12-18(16-6-4-5-7-19(16)30-3)26-21(20)28(27-13)14-8-10-15(29-2)11-9-14/h4-12H,1-3H3
InChIKeySSMZMWHOQVSIEJ-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.43
Rot. Bonds4

About 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090878) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090878
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccccc4OC)nc32)cc1
InChIInChI=1S/C22H18F3N3O2/c1-13-20-17(22(23,24)25)12-18(16-6-4-5-7-19(16)30-3)26-21(20)28(27-13)14-8-10-15(29-2)11-9-14/h4-12H,1-3H3
InChIKeySSMZMWHOQVSIEJ-UHFFFAOYSA-N
XLogP5.43
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phtpp
CID 11201035
6-(3,5-Dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine
CID 24786010
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
4-(3-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547715
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819
5-(4-Methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 738352
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059
3-(5-(3-amino-3-methylbutyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11510421

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090878) is 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccccc4OC)nc32)cc1.
What is the InChIKey of 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is SSMZMWHOQVSIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-13-20-17(22(23,24)25)12-18(16-6-4-5-7-19(16)30-3)26-21(20)28(27-13)14-8-10-15(29-2)11-9-14/h4-12H,1-3H3.
What are the key properties of 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 413.40 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).