1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone

C22H30N4O — CID 124824224

IUPAC1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESCCN(CC)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn21
InChIInChI=1S/C22H30N4O/c1-3-24(4-2)13-21-15-25(14-20-12-23-16-26(20)21)22(27)11-17-9-18-7-5-6-8-19(18)10-17/h5-8,12,16-17,21H,3-4,9-11,13-15H2,1-2H3/t21-/m0/s1
InChIKeyHFPJSDCMYZEAAY-NRFANRHFSA-N
MW366.51 g/mol
LogP2.91
Rot. Bonds6

About 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone

1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone (PubChem CID 124824224) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
PubChem CID124824224
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESCCN(CC)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn21
InChIInChI=1S/C22H30N4O/c1-3-24(4-2)13-21-15-25(14-20-12-23-16-26(20)21)22(27)11-17-9-18-7-5-6-8-19(18)10-17/h5-8,12,16-17,21H,3-4,9-11,13-15H2,1-2H3/t21-/m0/s1
InChIKeyHFPJSDCMYZEAAY-NRFANRHFSA-N
XLogP2.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
The IUPAC name of 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone (CID 124824224) is 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone.
What is the SMILES notation for 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
The canonical SMILES for 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone is CCN(CC)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn21.
What is the InChIKey of 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
The InChIKey is HFPJSDCMYZEAAY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-24(4-2)13-21-15-25(14-20-12-23-16-26(20)21)22(27)11-17-9-18-7-5-6-8-19(18)10-17/h5-8,12,16-17,21H,3-4,9-11,13-15H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone is sourced from PubChem (CID 124824224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).