5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one

C36H38N4O2 — CID 18916363

IUPAC5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
SMILESCCCCn1c(-c2ccccc2)c(C2(c3ccc(N(CC)CC)cc3CC)OC(=O)c3nccnc32)c2ccccc21
InChIInChI=1S/C36H38N4O2/c1-5-9-23-40-30-18-14-13-17-28(30)31(33(40)26-15-11-10-12-16-26)36(34-32(35(41)42-36)37-21-22-38-34)29-20-19-27(24-25(29)6-2)39(7-3)8-4/h10-22,24H,5-9,23H2,1-4H3
InChIKeyGWJZJQGZQKUHJP-UHFFFAOYSA-N
MW558.73 g/mol
LogP7.77
Rot. Bonds10

About 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one

5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one (PubChem CID 18916363) has the molecular formula C36H38N4O2 and a molecular weight of 558.73 g/mol. Its IUPAC name is 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one.

Molecular Properties

Compound Name5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
PubChem CID18916363
Molecular FormulaC36H38N4O2
Molecular Weight558.73 g/mol
Exact Mass558.30
IUPAC Name5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
SMILESCCCCn1c(-c2ccccc2)c(C2(c3ccc(N(CC)CC)cc3CC)OC(=O)c3nccnc32)c2ccccc21
InChIInChI=1S/C36H38N4O2/c1-5-9-23-40-30-18-14-13-17-28(30)31(33(40)26-15-11-10-12-16-26)36(34-32(35(41)42-36)37-21-22-38-34)29-20-19-27(24-25(29)6-2)39(7-3)8-4/h10-22,24H,5-9,23H2,1-4H3
InChIKeyGWJZJQGZQKUHJP-UHFFFAOYSA-N
XLogP7.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one?
The IUPAC name of 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one (CID 18916363) is 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one.
What is the SMILES notation for 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one?
The canonical SMILES for 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one is CCCCn1c(-c2ccccc2)c(C2(c3ccc(N(CC)CC)cc3CC)OC(=O)c3nccnc32)c2ccccc21.
What is the InChIKey of 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one?
The InChIKey is GWJZJQGZQKUHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4O2/c1-5-9-23-40-30-18-14-13-17-28(30)31(33(40)26-15-11-10-12-16-26)36(34-32(35(41)42-36)37-21-22-38-34)29-20-19-27(24-25(29)6-2)39(7-3)8-4/h10-22,24H,5-9,23H2,1-4H3.
What are the key properties of 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one?
5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one has a molecular weight of 558.73 g/mol, XLogP of 7.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one is sourced from PubChem (CID 18916363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).