1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol

C22H17FN6O — CID 118025582

IUPAC1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol
SMILESNc1ncnc2c1c(-n1ccc3cc(F)c(O)cc31)nn2C1Cc2ccccc2C1
InChIInChI=1S/C22H17FN6O/c23-16-9-14-5-6-28(17(14)10-18(16)30)22-19-20(24)25-11-26-21(19)29(27-22)15-7-12-3-1-2-4-13(12)8-15/h1-6,9-11,15,30H,7-8H2,(H2,24,25,26)
InChIKeyRWUCSOYAHQKAJA-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.54
Rot. Bonds2

About 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol

1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol (PubChem CID 118025582) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol.

Molecular Properties

Compound Name1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol
PubChem CID118025582
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol
SMILESNc1ncnc2c1c(-n1ccc3cc(F)c(O)cc31)nn2C1Cc2ccccc2C1
InChIInChI=1S/C22H17FN6O/c23-16-9-14-5-6-28(17(14)10-18(16)30)22-19-20(24)25-11-26-21(19)29(27-22)15-7-12-3-1-2-4-13(12)8-15/h1-6,9-11,15,30H,7-8H2,(H2,24,25,26)
InChIKeyRWUCSOYAHQKAJA-UHFFFAOYSA-N
XLogP3.54
TPSA94.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol?
The IUPAC name of 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol (CID 118025582) is 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol.
What is the SMILES notation for 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol?
The canonical SMILES for 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol is Nc1ncnc2c1c(-n1ccc3cc(F)c(O)cc31)nn2C1Cc2ccccc2C1.
What is the InChIKey of 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol?
The InChIKey is RWUCSOYAHQKAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c23-16-9-14-5-6-28(17(14)10-18(16)30)22-19-20(24)25-11-26-21(19)29(27-22)15-7-12-3-1-2-4-13(12)8-15/h1-6,9-11,15,30H,7-8H2,(H2,24,25,26).
What are the key properties of 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol?
1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol has a molecular weight of 400.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol is sourced from PubChem (CID 118025582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).