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

C26H18F3N3O — CID 3541466

IUPAC3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C26H18F3N3O/c1-33-20-14-12-18(13-15-20)24-23-21(26(27,28)29)16-22(17-8-4-2-5-9-17)30-25(23)32(31-24)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyAUKPPKMXJIXSHL-UHFFFAOYSA-N
MW445.44 g/mol
LogP6.78
Rot. Bonds4

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

3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 3541466) has the molecular formula C26H18F3N3O and a molecular weight of 445.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID3541466
Molecular FormulaC26H18F3N3O
Molecular Weight445.44 g/mol
Exact Mass445.14
IUPAC Name3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C26H18F3N3O/c1-33-20-14-12-18(13-15-20)24-23-21(26(27,28)29)16-22(17-8-4-2-5-9-17)30-25(23)32(31-24)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyAUKPPKMXJIXSHL-UHFFFAOYSA-N
XLogP6.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phtpp
CID 11201035
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
Pci 29732
CID 22347110
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
1-(1-Methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 139475244
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-(2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103238
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
Pyrazolo[1,5-a]-1,3,5-triazine, 12-1
CID 42618165

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 3541466) is 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is COc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is AUKPPKMXJIXSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O/c1-33-20-14-12-18(13-15-20)24-23-21(26(27,28)29)16-22(17-8-4-2-5-9-17)30-25(23)32(31-24)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 445.44 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 3541466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).