[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone

C20H25N5O — CID 124813104

IUPAC[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone
SMILESCN(C)CC[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn21
InChIInChI=1S/C20H25N5O/c1-22(2)9-8-15-11-24(12-16-10-21-14-25(15)16)20(26)18-13-23(3)19-7-5-4-6-17(18)19/h4-7,10,13-15H,8-9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyBMCGTWAZFNKUOF-HNNXBMFYSA-N
MW351.45 g/mol
LogP2.52
Rot. Bonds4

About [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone

[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone (PubChem CID 124813104) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone
PubChem CID124813104
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone
SMILESCN(C)CC[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn21
InChIInChI=1S/C20H25N5O/c1-22(2)9-8-15-11-24(12-16-10-21-14-25(15)16)20(26)18-13-23(3)19-7-5-4-6-17(18)19/h4-7,10,13-15H,8-9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyBMCGTWAZFNKUOF-HNNXBMFYSA-N
XLogP2.52
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124814867
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone
CID 67619877
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
(3aR,6aR)-5-(1-methylindole-3-carbonyl)-2-propyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133125068

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone (CID 124813104) is [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone is CN(C)CC[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn21.
What is the InChIKey of [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is BMCGTWAZFNKUOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-22(2)9-8-15-11-24(12-16-10-21-14-25(15)16)20(26)18-13-23(3)19-7-5-4-6-17(18)19/h4-7,10,13-15H,8-9,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone?
[(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[2-(dimethylamino)ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 124813104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).