[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone

C25H35N3O2 — CID 52949820

IUPAC[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone
SMILESCOc1cccc2c(C(=O)N3CCN4CCC[C@@]4(C)C3)cn(CC3CCCCC3)c12
InChIInChI=1S/C25H35N3O2/c1-25-12-7-13-28(25)15-14-26(18-25)24(29)21-17-27(16-19-8-4-3-5-9-19)23-20(21)10-6-11-22(23)30-2/h6,10-11,17,19H,3-5,7-9,12-16,18H2,1-2H3/t25-/m0/s1
InChIKeyHMMODIVNRVDSSA-VWLOTQADSA-N
MW409.57 g/mol
LogP4.54
Rot. Bonds4

About [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone

[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone (PubChem CID 52949820) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone.

Molecular Properties

Compound Name[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone
PubChem CID52949820
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone
SMILESCOc1cccc2c(C(=O)N3CCN4CCC[C@@]4(C)C3)cn(CC3CCCCC3)c12
InChIInChI=1S/C25H35N3O2/c1-25-12-7-13-28(25)15-14-26(18-25)24(29)21-17-27(16-19-8-4-3-5-9-19)23-20(21)10-6-11-22(23)30-2/h6,10-11,17,19H,3-5,7-9,12-16,18H2,1-2H3/t25-/m0/s1
InChIKeyHMMODIVNRVDSSA-VWLOTQADSA-N
XLogP4.54
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(cyclopentylmethyl)-7-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59016067
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone
CID 69491067
[(6S,8aR)-6,8a-dimethyl-3,5,6,8-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone;hydrochloride
CID 52946150
1-(cyclohexylmethyl)-7-methoxyindole-3-carbonyl cyanide
CID 86613200
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(2R)-2-[(1S)-1-hydroxyethyl]-4-methylpiperazin-1-yl]methanone
CID 91453210
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69490579
7-chloro-1-(cyclohexylmethyl)indole-3-carboxylic acid
CID 68674009
methyl 5-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-1,3-thiazole-2-carboxylate
CID 68700705
(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 59016065
[9a-methyl-7-(2-methylprop-2-enoxy)-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-(2-chloro-3-methoxyphenyl)methanone
CID 155769816
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849

Frequently Asked Questions

What is the IUPAC name of [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone?
The IUPAC name of [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone (CID 52949820) is [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone.
What is the SMILES notation for [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone?
The canonical SMILES for [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone is COc1cccc2c(C(=O)N3CCN4CCC[C@@]4(C)C3)cn(CC3CCCCC3)c12.
What is the InChIKey of [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone?
The InChIKey is HMMODIVNRVDSSA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-25-12-7-13-28(25)15-14-26(18-25)24(29)21-17-27(16-19-8-4-3-5-9-19)23-20(21)10-6-11-22(23)30-2/h6,10-11,17,19H,3-5,7-9,12-16,18H2,1-2H3/t25-/m0/s1.
What are the key properties of [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone?
[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone has a molecular weight of 409.57 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]methanone is sourced from PubChem (CID 52949820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).