(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C19H24N4O3 — CID 95119899

IUPAC(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCN3CCN(C)C(=O)[C@@H]3C1)n2C
InChIInChI=1S/C19H24N4O3/c1-20-6-7-22-8-9-23(12-17(22)18(20)24)19(25)16-11-13-10-14(26-3)4-5-15(13)21(16)2/h4-5,10-11,17H,6-9,12H2,1-3H3/t17-/m0/s1
InChIKeyYZQZLDIEWLKKQZ-KRWDZBQOSA-N
MW356.43 g/mol
LogP0.79
Rot. Bonds2

About (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95119899) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95119899
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCN3CCN(C)C(=O)[C@@H]3C1)n2C
InChIInChI=1S/C19H24N4O3/c1-20-6-7-22-8-9-23(12-17(22)18(20)24)19(25)16-11-13-10-14(26-3)4-5-15(13)21(16)2/h4-5,10-11,17H,6-9,12H2,1-3H3/t17-/m0/s1
InChIKeyYZQZLDIEWLKKQZ-KRWDZBQOSA-N
XLogP0.79
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

3-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91925833
3-[1-(5-methoxy-1-methylindole-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 70727049
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 126449791
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methoxy-1-methylindol-2-yl)methanone
CID 70721266
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 110264765
(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124948371
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 97118078
5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45244350
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 97156148
tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95119899) is (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is COc1ccc2c(c1)cc(C(=O)N1CCN3CCN(C)C(=O)[C@@H]3C1)n2C.
What is the InChIKey of (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is YZQZLDIEWLKKQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-20-6-7-22-8-9-23(12-17(22)18(20)24)19(25)16-11-13-10-14(26-3)4-5-15(13)21(16)2/h4-5,10-11,17H,6-9,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 356.43 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95119899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).