4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine

C22H20N4O2 — CID 135234605

IUPAC4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine
SMILESC=C(C)/C(=C\C=C(/C)Oc1nccc2occc12)c1c(C)ncc2nccn12
InChIInChI=1S/C22H20N4O2/c1-14(2)17(21-16(4)25-13-20-23-10-11-26(20)21)6-5-15(3)28-22-18-8-12-27-19(18)7-9-24-22/h5-13H,1H2,2-4H3/b15-5+,17-6+
InChIKeyRSTZDMNPOFNEOG-SYRYSZLJSA-N
MW372.43 g/mol
LogP5.12
Rot. Bonds5

About 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine

4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine (PubChem CID 135234605) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine
PubChem CID135234605
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine
SMILESC=C(C)/C(=C\C=C(/C)Oc1nccc2occc12)c1c(C)ncc2nccn12
InChIInChI=1S/C22H20N4O2/c1-14(2)17(21-16(4)25-13-20-23-10-11-26(20)21)6-5-15(3)28-22-18-8-12-27-19(18)7-9-24-22/h5-13H,1H2,2-4H3/b15-5+,17-6+
InChIKeyRSTZDMNPOFNEOG-SYRYSZLJSA-N
XLogP5.12
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine?
The IUPAC name of 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine (CID 135234605) is 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine.
What is the SMILES notation for 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine?
The canonical SMILES for 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine is C=C(C)/C(=C\C=C(/C)Oc1nccc2occc12)c1c(C)ncc2nccn12.
What is the InChIKey of 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine?
The InChIKey is RSTZDMNPOFNEOG-SYRYSZLJSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14(2)17(21-16(4)25-13-20-23-10-11-26(20)21)6-5-15(3)28-22-18-8-12-27-19(18)7-9-24-22/h5-13H,1H2,2-4H3/b15-5+,17-6+.
What are the key properties of 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine?
4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine has a molecular weight of 372.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-6-methyl-5-(6-methylimidazo[1,2-a]pyrazin-5-yl)hepta-2,4,6-trien-2-yl]oxyfuro[3,2-c]pyridine is sourced from PubChem (CID 135234605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).