4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol

C15H13F3N4O2 — CID 137335370

IUPAC4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol
SMILESCc1nc2n[nH]c(N)c2c(C)c1-c1ccc(O)c(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3N4O2/c1-6-11(7(2)20-14-12(6)13(19)21-22-14)8-3-4-9(23)10(5-8)24-15(16,17)18/h3-5,23H,1-2H3,(H3,19,20,21,22)
InChIKeyZQAYNYBLLSYGGH-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.43
Rot. Bonds2

About 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol

4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol (PubChem CID 137335370) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol
PubChem CID137335370
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol
SMILESCc1nc2n[nH]c(N)c2c(C)c1-c1ccc(O)c(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3N4O2/c1-6-11(7(2)20-14-12(6)13(19)21-22-14)8-3-4-9(23)10(5-8)24-15(16,17)18/h3-5,23H,1-2H3,(H3,19,20,21,22)
InChIKeyZQAYNYBLLSYGGH-UHFFFAOYSA-N
XLogP3.43
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide
CID 72935280
4-(4-aminoquinolin-6-yl)-2-(trifluoromethoxy)phenol
CID 138384706
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethoxy)phenol
CID 138386078
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol
CID 137341333
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
CID 156621301
4-[5-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]furan-2-yl]-2-(trifluoromethoxy)phenol
CID 145093195
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538880
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol (CID 137335370) is 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol is Cc1nc2n[nH]c(N)c2c(C)c1-c1ccc(O)c(OC(F)(F)F)c1.
What is the InChIKey of 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol?
The InChIKey is ZQAYNYBLLSYGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-6-11(7(2)20-14-12(6)13(19)21-22-14)8-3-4-9(23)10(5-8)24-15(16,17)18/h3-5,23H,1-2H3,(H3,19,20,21,22).
What are the key properties of 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol?
4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol has a molecular weight of 338.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 137335370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).