1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine

C18H17BrN6O2 — CID 89460594

IUPAC1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine
SMILESCCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(N3CC(N)C3)c2c1Br
InChIInChI=1S/C18H17BrN6O2/c1-2-11-15(19)14-16(22-11)23-18(24-17(14)25-7-9(20)8-25)27-10-5-13-12(21-6-10)3-4-26-13/h3-6,9H,2,7-8,20H2,1H3,(H,22,23,24)
InChIKeyVIOGPSUNGSQMTJ-UHFFFAOYSA-N
MW429.28 g/mol
LogP3.36
Rot. Bonds4

About 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine

1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine (PubChem CID 89460594) has the molecular formula C18H17BrN6O2 and a molecular weight of 429.28 g/mol. Its IUPAC name is 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine
PubChem CID89460594
Molecular FormulaC18H17BrN6O2
Molecular Weight429.28 g/mol
Exact Mass428.06
IUPAC Name1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine
SMILESCCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(N3CC(N)C3)c2c1Br
InChIInChI=1S/C18H17BrN6O2/c1-2-11-15(19)14-16(22-11)23-18(24-17(14)25-7-9(20)8-25)27-10-5-13-12(21-6-10)3-4-26-13/h3-6,9H,2,7-8,20H2,1H3,(H,22,23,24)
InChIKeyVIOGPSUNGSQMTJ-UHFFFAOYSA-N
XLogP3.36
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine?
The IUPAC name of 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine (CID 89460594) is 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine is CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(N3CC(N)C3)c2c1Br.
What is the InChIKey of 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine?
The InChIKey is VIOGPSUNGSQMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6O2/c1-2-11-15(19)14-16(22-11)23-18(24-17(14)25-7-9(20)8-25)27-10-5-13-12(21-6-10)3-4-26-13/h3-6,9H,2,7-8,20H2,1H3,(H,22,23,24).
What are the key properties of 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine?
1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine has a molecular weight of 429.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine is sourced from PubChem (CID 89460594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).