[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid

C15H13BN4O3 — CID 171818813

IUPAC[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
SMILESC[C@@H](Oc1cc(B(O)O)cn2ncc(C#N)c12)c1ccccn1
InChIInChI=1S/C15H13BN4O3/c1-10(13-4-2-3-5-18-13)23-14-6-12(16(21)22)9-20-15(14)11(7-17)8-19-20/h2-6,8-10,21-22H,1H3/t10-/m1/s1
InChIKeyOYQFTCZLZXHGIF-SNVBAGLBSA-N
MW308.11 g/mol
LogP0.42
Rot. Bonds4

About [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid

[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid (PubChem CID 171818813) has the molecular formula C15H13BN4O3 and a molecular weight of 308.11 g/mol. Its IUPAC name is [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid.

Molecular Properties

Compound Name[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
PubChem CID171818813
Molecular FormulaC15H13BN4O3
Molecular Weight308.11 g/mol
Exact Mass308.11
IUPAC Name[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
SMILESC[C@@H](Oc1cc(B(O)O)cn2ncc(C#N)c12)c1ccccn1
InChIInChI=1S/C15H13BN4O3/c1-10(13-4-2-3-5-18-13)23-14-6-12(16(21)22)9-20-15(14)11(7-17)8-19-20/h2-6,8-10,21-22H,1H3/t10-/m1/s1
InChIKeyOYQFTCZLZXHGIF-SNVBAGLBSA-N
XLogP0.42
TPSA103.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid?
The IUPAC name of [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid (CID 171818813) is [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid.
What is the SMILES notation for [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid?
The canonical SMILES for [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid is C[C@@H](Oc1cc(B(O)O)cn2ncc(C#N)c12)c1ccccn1.
What is the InChIKey of [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid?
The InChIKey is OYQFTCZLZXHGIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BN4O3/c1-10(13-4-2-3-5-18-13)23-14-6-12(16(21)22)9-20-15(14)11(7-17)8-19-20/h2-6,8-10,21-22H,1H3/t10-/m1/s1.
What are the key properties of [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid?
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid has a molecular weight of 308.11 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid is sourced from PubChem (CID 171818813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).