2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol

C17H15N5O2 — CID 127045909

IUPAC2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
SMILESCc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1
InChIInChI=1S/C17H15N5O2/c1-10-6-7-14(24-10)17-19-12-9-22(21-15(12)16(18)20-17)8-11-4-2-3-5-13(11)23/h2-7,9,23H,8H2,1H3,(H2,18,19,20)
InChIKeyLEZBSAGRBMBCGD-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.73
Rot. Bonds3

About 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol

2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol (PubChem CID 127045909) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
PubChem CID127045909
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol
SMILESCc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1
InChIInChI=1S/C17H15N5O2/c1-10-6-7-14(24-10)17-19-12-9-22(21-15(12)16(18)20-17)8-11-4-2-3-5-13(11)23/h2-7,9,23H,8H2,1H3,(H2,18,19,20)
InChIKeyLEZBSAGRBMBCGD-UHFFFAOYSA-N
XLogP2.73
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
The IUPAC name of 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol (CID 127045909) is 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
The canonical SMILES for 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol is Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1.
What is the InChIKey of 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
The InChIKey is LEZBSAGRBMBCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10-6-7-14(24-10)17-19-12-9-22(21-15(12)16(18)20-17)8-11-4-2-3-5-13(11)23/h2-7,9,23H,8H2,1H3,(H2,18,19,20).
What are the key properties of 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol?
2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol has a molecular weight of 321.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-amino-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-2-yl]methyl]phenol is sourced from PubChem (CID 127045909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).