6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine

C22H14BrN5O4 — CID 89460591

IUPAC6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine
SMILESCCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Br
InChIInChI=1S/C22H14BrN5O4/c1-2-13-19(23)18-20(26-13)27-22(32-12-8-17-15(25-10-12)4-6-30-17)28-21(18)31-11-7-16-14(24-9-11)3-5-29-16/h3-10H,2H2,1H3,(H,26,27,28)
InChIKeyLWWVZECQCRXHMP-UHFFFAOYSA-N
MW492.29 g/mol
LogP6.15
Rot. Bonds5

About 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine

6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine (PubChem CID 89460591) has the molecular formula C22H14BrN5O4 and a molecular weight of 492.29 g/mol. Its IUPAC name is 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine
PubChem CID89460591
Molecular FormulaC22H14BrN5O4
Molecular Weight492.29 g/mol
Exact Mass491.02
IUPAC Name6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine
SMILESCCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Br
InChIInChI=1S/C22H14BrN5O4/c1-2-13-19(23)18-20(26-13)27-22(32-12-8-17-15(25-10-12)4-6-30-17)28-21(18)31-11-7-16-14(24-9-11)3-5-29-16/h3-10H,2H2,1H3,(H,26,27,28)
InChIKeyLWWVZECQCRXHMP-UHFFFAOYSA-N
XLogP6.15
TPSA112.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.29
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine?
The IUPAC name of 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine (CID 89460591) is 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine.
What is the SMILES notation for 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine?
The canonical SMILES for 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine is CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Br.
What is the InChIKey of 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine?
The InChIKey is LWWVZECQCRXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN5O4/c1-2-13-19(23)18-20(26-13)27-22(32-12-8-17-15(25-10-12)4-6-30-17)28-21(18)31-11-7-16-14(24-9-11)3-5-29-16/h3-10H,2H2,1H3,(H,26,27,28).
What are the key properties of 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine?
6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine has a molecular weight of 492.29 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine is sourced from PubChem (CID 89460591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).