5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane

C37H31BBr3N6O6P — CID 162014865

IUPAC5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane
SMILESBrB(Br)Br.COc1cc(Oc2nccc3occc23)ccc1-c1nccnc1C.Cc1nccnc1-c1ccc(Oc2nccc3occc23)cc1O.P
InChIInChI=1S/C19H15N3O3.C18H13N3O3.BBr3.H3P/c1-12-18(21-9-8-20-12)14-4-3-13(11-17(14)23-2)25-19-15-6-10-24-16(15)5-7-22-19;1-11-17(20-8-7-19-11)13-3-2-12(10-15(13)22)24-18-14-5-9-23-16(14)4-6-21-18;2-1(3)4;/h3-11H,1-2H3;2-10,22H,1H3;;1H3
InChIKeyYTYWEJUPWJJEEN-UHFFFAOYSA-N
MW937.19 g/mol
LogP10.70
Rot. Bonds7

About 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane

5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane (PubChem CID 162014865) has the molecular formula C37H31BBr3N6O6P and a molecular weight of 937.19 g/mol. Its IUPAC name is 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane.

Molecular Properties

Compound Name5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane
PubChem CID162014865
Molecular FormulaC37H31BBr3N6O6P
Molecular Weight937.19 g/mol
Exact Mass933.97
IUPAC Name5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane
SMILESBrB(Br)Br.COc1cc(Oc2nccc3occc23)ccc1-c1nccnc1C.Cc1nccnc1-c1ccc(Oc2nccc3occc23)cc1O.P
InChIInChI=1S/C19H15N3O3.C18H13N3O3.BBr3.H3P/c1-12-18(21-9-8-20-12)14-4-3-13(11-17(14)23-2)25-19-15-6-10-24-16(15)5-7-22-19;1-11-17(20-8-7-19-11)13-3-2-12(10-15(13)22)24-18-14-5-9-23-16(14)4-6-21-18;2-1(3)4;/h3-11H,1-2H3;2-10,22H,1H3;;1H3
InChIKeyYTYWEJUPWJJEEN-UHFFFAOYSA-N
XLogP10.70
TPSA151.54 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.19
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(3-methylpyrazin-2-yl)phenol
CID 136981278
4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 130442472
3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
CID 90134293
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
4-[4-bromo-3-(bromomethyl)phenoxy]furo[3,2-c]pyridine
CID 90134280
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methyl-1H-pyrazin-2-one
CID 130442523
4-[4-(2-cyclopropyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442503
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 130442520
methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate
CID 162519514
4-[4-(8-methoxyquinazolin-4-yl)phenoxy]furo[3,2-c]pyridine
CID 130442521
2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile
CID 130442543
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517

Frequently Asked Questions

What is the IUPAC name of 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane?
The IUPAC name of 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane (CID 162014865) is 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane.
What is the SMILES notation for 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane?
The canonical SMILES for 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane is BrB(Br)Br.COc1cc(Oc2nccc3occc23)ccc1-c1nccnc1C.Cc1nccnc1-c1ccc(Oc2nccc3occc23)cc1O.P.
What is the InChIKey of 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane?
The InChIKey is YTYWEJUPWJJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3.C18H13N3O3.BBr3.H3P/c1-12-18(21-9-8-20-12)14-4-3-13(11-17(14)23-2)25-19-15-6-10-24-16(15)5-7-22-19;1-11-17(20-8-7-19-11)13-3-2-12(10-15(13)22)24-18-14-5-9-23-16(14)4-6-21-18;2-1(3)4;/h3-11H,1-2H3;2-10,22H,1H3;;1H3.
What are the key properties of 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane?
5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane has a molecular weight of 937.19 g/mol, XLogP of 10.70, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane is sourced from PubChem (CID 162014865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).