5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

C20H16FN5O — CID 118025676

IUPAC5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1Cc2ccccc2C1
InChIInChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
InChIKeyOQVZIQPNGMQXIH-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.26
Rot. Bonds2

About 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 118025676) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
PubChem CID118025676
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESNc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1Cc2ccccc2C1
InChIInChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
InChIKeyOQVZIQPNGMQXIH-UHFFFAOYSA-N
XLogP3.26
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025928
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
CID 118026010
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
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-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenol
CID 118026255
3-amino-5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 118025994
1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118026224
3-[4-amino-1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025658
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-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025701
1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol
CID 118025582

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (CID 118025676) is 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1Cc2ccccc2C1.
What is the InChIKey of 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is OQVZIQPNGMQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24).
What are the key properties of 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 361.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 118025676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).