3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H13F3N6O2 — CID 163414870

IUPAC3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1
InChIInChI=1S/C15H13F3N6O2/c1-8-2-3-20-9(4-8)26-13-10-11(19)21-7-22-12(10)24(23-13)14(5-25-6-14)15(16,17)18/h2-4,7H,5-6H2,1H3,(H2,19,21,22)
InChIKeyQOIOIEZVCYWURK-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.19
Rot. Bonds3

About 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 163414870) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID163414870
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC Name3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1
InChIInChI=1S/C15H13F3N6O2/c1-8-2-3-20-9(4-8)26-13-10-11(19)21-7-22-12(10)24(23-13)14(5-25-6-14)15(16,17)18/h2-4,7H,5-6H2,1H3,(H2,19,21,22)
InChIKeyQOIOIEZVCYWURK-UHFFFAOYSA-N
XLogP2.19
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(trifluoromethyl)oxetan-3-yl]-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 166832812
cis-(1R,2S)-2-[4-amino-3-[(4-methoxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 162477376
[3-[[4-amino-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclobutyl]boronic acid
CID 162477352
1-[4-amino-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1-carboxylic acid;1-cyclopropyl-3-[(4-prop-1-en-2-yloxy-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;1-(2,2-difluorocyclohexyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine;ethyl 1-[4-amino-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutane-1-carboxylate;1-(3-fluorocyclobutyl)-3-[(4-methyl-2-pyridinyl)oxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 163732085
ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 145130157
1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167512635
O-(4-methyl-2-pyridinyl)hydroxylamine
CID 79422441
2-[(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;ethane
CID 145130128
[3-[[4-amino-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclobutyl]boronic acid;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]methyl]-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[5,4-d]pyrimidin-4-yl]carbamate;hydrochloride
CID 163532113
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633769
2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
tert-butyl 4-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[5,4-d]pyrimidin-1-yl]-3,3-difluoropiperidine-1-carboxylate;1-(3,3-difluoropiperidin-4-yl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[3,4-d]pyrimidin-4-amine;methane
CID 163718610

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 163414870) is 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccnc(Oc2nn(C3(C(F)(F)F)COC3)c3ncnc(N)c23)c1.
What is the InChIKey of 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QOIOIEZVCYWURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c1-8-2-3-20-9(4-8)26-13-10-11(19)21-7-22-12(10)24(23-13)14(5-25-6-14)15(16,17)18/h2-4,7H,5-6H2,1H3,(H2,19,21,22).
What are the key properties of 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 366.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163414870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).