[3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H22N2O7 — CID 24959436

IUPAC[3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2oc3nc(OC)cnc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22N2O7/c1-28-15-8-6-13(7-9-15)22-19(20-24(33-22)26-18(31-4)12-25-20)21(27)14-10-16(29-2)23(32-5)17(11-14)30-3/h6-12H,1-5H3
InChIKeyOXHOHYRDLSXYMP-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.16
Rot. Bonds8

About [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 24959436) has the molecular formula C24H22N2O7 and a molecular weight of 450.45 g/mol. Its IUPAC name is [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID24959436
Molecular FormulaC24H22N2O7
Molecular Weight450.45 g/mol
Exact Mass450.14
IUPAC Name[3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2oc3nc(OC)cnc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22N2O7/c1-28-15-8-6-13(7-9-15)22-19(20-24(33-22)26-18(31-4)12-25-20)21(27)14-10-16(29-2)23(32-5)17(11-14)30-3/h6-12H,1-5H3
InChIKeyOXHOHYRDLSXYMP-UHFFFAOYSA-N
XLogP4.16
TPSA102.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 24959436) is [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2oc3nc(OC)cnc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OXHOHYRDLSXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7/c1-28-15-8-6-13(7-9-15)22-19(20-24(33-22)26-18(31-4)12-25-20)21(27)14-10-16(29-2)23(32-5)17(11-14)30-3/h6-12H,1-5H3.
What are the key properties of [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 450.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 24959436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).