5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol

C19H13FN6O — CID 23579517

IUPAC5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol
SMILESCn1c(-c2cccc(F)c2)nc2c(N)nc(C#Cc3cncc(O)c3)nc21
InChIInChI=1S/C19H13FN6O/c1-26-18(12-3-2-4-13(20)8-12)25-16-17(21)23-15(24-19(16)26)6-5-11-7-14(27)10-22-9-11/h2-4,7-10,27H,1H3,(H2,21,23,24)
InChIKeyXAJXJUKBOSSFEU-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.25
Rot. Bonds1

About 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol

5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol (PubChem CID 23579517) has the molecular formula C19H13FN6O and a molecular weight of 360.35 g/mol. Its IUPAC name is 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol
PubChem CID23579517
Molecular FormulaC19H13FN6O
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC Name5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol
SMILESCn1c(-c2cccc(F)c2)nc2c(N)nc(C#Cc3cncc(O)c3)nc21
InChIInChI=1S/C19H13FN6O/c1-26-18(12-3-2-4-13(20)8-12)25-16-17(21)23-15(24-19(16)26)6-5-11-7-14(27)10-22-9-11/h2-4,7-10,27H,1H3,(H2,21,23,24)
InChIKeyXAJXJUKBOSSFEU-UHFFFAOYSA-N
XLogP2.25
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol?
The IUPAC name of 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol (CID 23579517) is 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol.
What is the SMILES notation for 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol?
The canonical SMILES for 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol is Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#Cc3cncc(O)c3)nc21.
What is the InChIKey of 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol?
The InChIKey is XAJXJUKBOSSFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O/c1-26-18(12-3-2-4-13(20)8-12)25-16-17(21)23-15(24-19(16)26)6-5-11-7-14(27)10-22-9-11/h2-4,7-10,27H,1H3,(H2,21,23,24).
What are the key properties of 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol?
5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol has a molecular weight of 360.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]pyridin-3-ol is sourced from PubChem (CID 23579517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).