3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol

C15H13N5O2 — CID 123166237

IUPAC3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol
SMILESCOc1ncc(-c2ccn3ncc(C#CCO)c3n2)cc1N
InChIInChI=1S/C15H13N5O2/c1-22-15-12(16)7-11(8-17-15)13-4-5-20-14(19-13)10(9-18-20)3-2-6-21/h4-5,7-9,21H,6,16H2,1H3
InChIKeyFNPLIOWVKADOFG-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.73
Rot. Bonds2

About 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol

3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol (PubChem CID 123166237) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol
PubChem CID123166237
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol
SMILESCOc1ncc(-c2ccn3ncc(C#CCO)c3n2)cc1N
InChIInChI=1S/C15H13N5O2/c1-22-15-12(16)7-11(8-17-15)13-4-5-20-14(19-13)10(9-18-20)3-2-6-21/h4-5,7-9,21H,6,16H2,1H3
InChIKeyFNPLIOWVKADOFG-UHFFFAOYSA-N
XLogP0.73
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.73
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 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol (CID 123166237) is 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol is COc1ncc(-c2ccn3ncc(C#CCO)c3n2)cc1N.
What is the InChIKey of 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol?
The InChIKey is FNPLIOWVKADOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-15-12(16)7-11(8-17-15)13-4-5-20-14(19-13)10(9-18-20)3-2-6-21/h4-5,7-9,21H,6,16H2,1H3.
What are the key properties of 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol?
3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol has a molecular weight of 295.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 123166237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).