2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C24H22FN5O — CID 136951204

IUPAC2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)cc1O)nn2C1CCCc2ccc(C3CC3)cc21
InChIInChI=1S/C24H22FN5O/c25-16-8-9-17(20(31)11-16)22-21-23(26)27-12-28-24(21)30(29-22)19-3-1-2-14-6-7-15(10-18(14)19)13-4-5-13/h6-13,19,31H,1-5H2,(H2,26,27,28)
InChIKeyTWHMJNFSEVTSQG-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.72
Rot. Bonds3

About 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 136951204) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID136951204
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)cc1O)nn2C1CCCc2ccc(C3CC3)cc21
InChIInChI=1S/C24H22FN5O/c25-16-8-9-17(20(31)11-16)22-21-23(26)27-12-28-24(21)30(29-22)19-3-1-2-14-6-7-15(10-18(14)19)13-4-5-13/h6-13,19,31H,1-5H2,(H2,26,27,28)
InChIKeyTWHMJNFSEVTSQG-UHFFFAOYSA-N
XLogP4.72
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-amino-1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025658
5-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025701
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]benzamide
CID 118025879
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025928
N-[5-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
CID 118025615
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025680
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-(2,3-dihydro-1H-inden-1-yl)cyclopropyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 166787652
[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-(3-fluorophenyl)methanone
CID 148815892
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 136951204) is 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Nc1ncnc2c1c(-c1ccc(F)cc1O)nn2C1CCCc2ccc(C3CC3)cc21.
What is the InChIKey of 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is TWHMJNFSEVTSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-16-8-9-17(20(31)11-16)22-21-23(26)27-12-28-24(21)30(29-22)19-3-1-2-14-6-7-15(10-18(14)19)13-4-5-13/h6-13,19,31H,1-5H2,(H2,26,27,28).
What are the key properties of 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 415.47 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 136951204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).