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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218
Pyrazolo[1,5-a]-1,3,5-triazine, 13-13
CID 42618219
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 162650276
6-methoxy-3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 162653193
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
4-[[3-(6-Methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 44530416
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186181
(2R)-2-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]propan-1-ol
CID 59199061
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251850
N-[6-(6-amino-5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251922

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).