6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one

C18H19N3O3 — CID 56992924

IUPAC6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCOc1nc(CC(C)C)c(=O)[nH]c1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O3/c1-10(2)8-14-17(23)21-15(18(20-14)24-3)16(22)12-9-19-13-7-5-4-6-11(12)13/h4-7,9-10,19H,8H2,1-3H3,(H,21,23)
InChIKeyBQTWRIULPUFSMZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.69
Rot. Bonds5

About 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one

6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one (PubChem CID 56992924) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one
PubChem CID56992924
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCOc1nc(CC(C)C)c(=O)[nH]c1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O3/c1-10(2)8-14-17(23)21-15(18(20-14)24-3)16(22)12-9-19-13-7-5-4-6-11(12)13/h4-7,9-10,19H,8H2,1-3H3,(H,21,23)
InChIKeyBQTWRIULPUFSMZ-UHFFFAOYSA-N
XLogP2.69
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57192544
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 57316748
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57310985
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
CID 9116558
1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
CID 79214624
methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
CID 10492618
[6-[(5-bromo-1H-indol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)pyrazin-2-yl] benzoate
CID 57043823
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one?
The IUPAC name of 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one (CID 56992924) is 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one is COc1nc(CC(C)C)c(=O)[nH]c1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one?
The InChIKey is BQTWRIULPUFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10(2)8-14-17(23)21-15(18(20-14)24-3)16(22)12-9-19-13-7-5-4-6-11(12)13/h4-7,9-10,19H,8H2,1-3H3,(H,21,23).
What are the key properties of 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one?
6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 56992924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).