4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C17H15BF3N3O3 — CID 171049123

IUPAC4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cncc(C3COB(O)C3)c2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H15BF3N3O3/c1-26-16-3-2-13(14-5-15(17(19,20)21)23-24(14)16)11-4-10(7-22-8-11)12-6-18(25)27-9-12/h2-5,7-8,12,25H,6,9H2,1H3
InChIKeyLNDQRKOIHCHVAP-UHFFFAOYSA-N
MW377.13 g/mol
LogP3.02
Rot. Bonds3

About 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 171049123) has the molecular formula C17H15BF3N3O3 and a molecular weight of 377.13 g/mol. Its IUPAC name is 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID171049123
Molecular FormulaC17H15BF3N3O3
Molecular Weight377.13 g/mol
Exact Mass377.12
IUPAC Name4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cncc(C3COB(O)C3)c2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H15BF3N3O3/c1-26-16-3-2-13(14-5-15(17(19,20)21)23-24(14)16)11-4-10(7-22-8-11)12-6-18(25)27-9-12/h2-5,7-8,12,25H,6,9H2,1H3
InChIKeyLNDQRKOIHCHVAP-UHFFFAOYSA-N
XLogP3.02
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 171049123) is 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is COc1ccc(-c2cncc(C3COB(O)C3)c2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is LNDQRKOIHCHVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BF3N3O3/c1-26-16-3-2-13(14-5-15(17(19,20)21)23-24(14)16)11-4-10(7-22-8-11)12-6-18(25)27-9-12/h2-5,7-8,12,25H,6,9H2,1H3.
What are the key properties of 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 377.13 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxyoxaborolan-4-yl)-3-pyridinyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 171049123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).