(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone

C18H24N4O — CID 50958229

IUPAC(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN4CCN(C)CC4C3)cc2c1
InChIInChI=1S/C18H24N4O/c1-13-3-4-16-14(9-13)10-17(19-16)18(23)22-8-7-21-6-5-20(2)11-15(21)12-22/h3-4,9-10,15,19H,5-8,11-12H2,1-2H3
InChIKeyWHXSTLFVOVWPRM-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.55
Rot. Bonds1

About (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone

(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 50958229) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
PubChem CID50958229
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN4CCN(C)CC4C3)cc2c1
InChIInChI=1S/C18H24N4O/c1-13-3-4-16-14(9-13)10-17(19-16)18(23)22-8-7-21-6-5-20(2)11-15(21)12-22/h3-4,9-10,15,19H,5-8,11-12H2,1-2H3
InChIKeyWHXSTLFVOVWPRM-UHFFFAOYSA-N
XLogP1.55
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 98741991
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 95584856
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 166206976
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 124752545
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone (CID 50958229) is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCN4CCN(C)CC4C3)cc2c1.
What is the InChIKey of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is WHXSTLFVOVWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-3-4-16-14(9-13)10-17(19-16)18(23)22-8-7-21-6-5-20(2)11-15(21)12-22/h3-4,9-10,15,19H,5-8,11-12H2,1-2H3.
What are the key properties of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone?
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 50958229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).