3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C21H19FN6O — CID 118025577

IUPAC3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ncc(-c2nn(C3CCc4ccccc4C3)c3ncnc(N)c23)cc1F
InChIInChI=1S/C21H19FN6O/c1-29-21-16(22)9-14(10-24-21)18-17-19(23)25-11-26-20(17)28(27-18)15-7-6-12-4-2-3-5-13(12)8-15/h2-5,9-11,15H,6-8H2,1H3,(H2,23,25,26)
InChIKeyGOVGYPWFVJTMCO-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.35
Rot. Bonds3

About 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118025577) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID118025577
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ncc(-c2nn(C3CCc4ccccc4C3)c3ncnc(N)c23)cc1F
InChIInChI=1S/C21H19FN6O/c1-29-21-16(22)9-14(10-24-21)18-17-19(23)25-11-26-20(17)28(27-18)15-7-6-12-4-2-3-5-13(12)8-15/h2-5,9-11,15H,6-8H2,1H3,(H2,23,25,26)
InChIKeyGOVGYPWFVJTMCO-UHFFFAOYSA-N
XLogP3.35
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118026224
5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenol
CID 118026255
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025680
3-amino-5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 118025994
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
1-[4-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone
CID 118025979
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 118025676
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025928
[3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenyl] prop-2-enoate
CID 118025732
2-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-6-fluoro-1H-indol-5-ol
CID 136951164
2-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoro-1H-indol-6-ol
CID 136951157
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-fluoro-2-(trifluoromethyl)phenol
CID 118034601

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 118025577) is 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ncc(-c2nn(C3CCc4ccccc4C3)c3ncnc(N)c23)cc1F.
What is the InChIKey of 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GOVGYPWFVJTMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-29-21-16(22)9-14(10-24-21)18-17-19(23)25-11-26-20(17)28(27-18)15-7-6-12-4-2-3-5-13(12)8-15/h2-5,9-11,15H,6-8H2,1H3,(H2,23,25,26).
What are the key properties of 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 390.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methoxy-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118025577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).