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

C20H16FN5O — CID 118024598

IUPAC3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1nc(C2Cc3ccccc3C2)nc2n[nH]c(-c3cc(O)cc(F)c3)c12
InChIInChI=1S/C20H16FN5O/c21-14-7-12(8-15(27)9-14)17-16-18(22)23-19(24-20(16)26-25-17)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,27H,5-6H2,(H3,22,23,24,25,26)
InChIKeyAUUPHYRLXIPZTQ-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.33
Rot. Bonds2

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

3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 118024598) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID118024598
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1nc(C2Cc3ccccc3C2)nc2n[nH]c(-c3cc(O)cc(F)c3)c12
InChIInChI=1S/C20H16FN5O/c21-14-7-12(8-15(27)9-14)17-16-18(22)23-19(24-20(16)26-25-17)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,27H,5-6H2,(H3,22,23,24,25,26)
InChIKeyAUUPHYRLXIPZTQ-UHFFFAOYSA-N
XLogP3.33
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 118024598) is 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Nc1nc(C2Cc3ccccc3C2)nc2n[nH]c(-c3cc(O)cc(F)c3)c12.
What is the InChIKey of 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is AUUPHYRLXIPZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-14-7-12(8-15(27)9-14)17-16-18(22)23-19(24-20(16)26-25-17)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,27H,5-6H2,(H3,22,23,24,25,26).
What are the key properties of 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 361.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 118024598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).