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

C21H19N5O — CID 118024809

IUPAC5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
SMILESCc1ccc(-c2[nH]nc3nc(C4Cc5ccccc5C4)nc(N)c23)cc1O
InChIInChI=1S/C21H19N5O/c1-11-6-7-14(10-16(11)27)18-17-19(22)23-20(24-21(17)26-25-18)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,27H,8-9H2,1H3,(H3,22,23,24,25,26)
InChIKeyWQOJYEZIVNGYDP-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.50
Rot. Bonds2

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

5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol (PubChem CID 118024809) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
PubChem CID118024809
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
SMILESCc1ccc(-c2[nH]nc3nc(C4Cc5ccccc5C4)nc(N)c23)cc1O
InChIInChI=1S/C21H19N5O/c1-11-6-7-14(10-16(11)27)18-17-19(22)23-20(24-21(17)26-25-18)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,27H,8-9H2,1H3,(H3,22,23,24,25,26)
InChIKeyWQOJYEZIVNGYDP-UHFFFAOYSA-N
XLogP3.50
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol?
The IUPAC name of 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol (CID 118024809) is 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol.
What is the SMILES notation for 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol?
The canonical SMILES for 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol is Cc1ccc(-c2[nH]nc3nc(C4Cc5ccccc5C4)nc(N)c23)cc1O.
What is the InChIKey of 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol?
The InChIKey is WQOJYEZIVNGYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-11-6-7-14(10-16(11)27)18-17-19(22)23-20(24-21(17)26-25-18)15-8-12-4-2-3-5-13(12)9-15/h2-7,10,15,27H,8-9H2,1H3,(H3,22,23,24,25,26).
What are the key properties of 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol?
5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol has a molecular weight of 357.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol is sourced from PubChem (CID 118024809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).