6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one

C28H31N3O4 — CID 139660543

IUPAC6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one
SMILESCOc1ccc(Cn2c(Cc3cn(C(C)=O)c4ccccc34)c(OC)nc(CC(C)C)c2=O)cc1
InChIInChI=1S/C28H31N3O4/c1-18(2)14-24-28(33)31(16-20-10-12-22(34-4)13-11-20)26(27(29-24)35-5)15-21-17-30(19(3)32)25-9-7-6-8-23(21)25/h6-13,17-18H,14-16H2,1-5H3
InChIKeyYISDWTKOWQNNLX-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.71
Rot. Bonds8

About 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one

6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one (PubChem CID 139660543) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one
PubChem CID139660543
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one
SMILESCOc1ccc(Cn2c(Cc3cn(C(C)=O)c4ccccc34)c(OC)nc(CC(C)C)c2=O)cc1
InChIInChI=1S/C28H31N3O4/c1-18(2)14-24-28(33)31(16-20-10-12-22(34-4)13-11-20)26(27(29-24)35-5)15-21-17-30(19(3)32)25-9-7-6-8-23(21)25/h6-13,17-18H,14-16H2,1-5H3
InChIKeyYISDWTKOWQNNLX-UHFFFAOYSA-N
XLogP4.71
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Melatonin
CID 896
(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Pci-34051
CID 24753719
N-Propionyl-5-methoxytryptamine
CID 395810
SR-18
CID 53394099
GR 46611
CID 6160690
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
N-Acetyl-5-benzyloxytryptamine
CID 563605
beta-Methylmelatonin
CID 11630146
N-(2-(5-methoxy-1H-indol-3-yl)ethyl)cyclopropanecarboxamide
CID 2877
Ammtc
CID 5311004

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one (CID 139660543) is 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one is COc1ccc(Cn2c(Cc3cn(C(C)=O)c4ccccc34)c(OC)nc(CC(C)C)c2=O)cc1.
What is the InChIKey of 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one?
The InChIKey is YISDWTKOWQNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-18(2)14-24-28(33)31(16-20-10-12-22(34-4)13-11-20)26(27(29-24)35-5)15-21-17-30(19(3)32)25-9-7-6-8-23(21)25/h6-13,17-18H,14-16H2,1-5H3.
What are the key properties of 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one?
6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one has a molecular weight of 473.57 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 139660543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).