4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C15H11FN4O2 — CID 134434857

IUPAC4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCO)cc(-c3ccc(F)nc3)c12
InChIInChI=1S/C15H11FN4O2/c16-14-2-1-10(7-18-14)13-5-12(22-4-3-21)9-20-15(13)11(6-17)8-19-20/h1-2,5,7-9,21H,3-4H2
InChIKeySATTXTSFKYJDAQ-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.78
Rot. Bonds4

About 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434857) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434857
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCO)cc(-c3ccc(F)nc3)c12
InChIInChI=1S/C15H11FN4O2/c16-14-2-1-10(7-18-14)13-5-12(22-4-3-21)9-20-15(13)11(6-17)8-19-20/h1-2,5,7-9,21H,3-4H2
InChIKeySATTXTSFKYJDAQ-UHFFFAOYSA-N
XLogP1.78
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434857) is 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCCO)cc(-c3ccc(F)nc3)c12.
What is the InChIKey of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SATTXTSFKYJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-14-2-1-10(7-18-14)13-5-12(22-4-3-21)9-20-15(13)11(6-17)8-19-20/h1-2,5,7-9,21H,3-4H2.
What are the key properties of 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 298.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-pyridinyl)-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).