2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide

C13H22N4O2 — CID 124809114

IUPAC2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1CN(C(C)C)Cc2cncn21
InChIInChI=1S/C13H22N4O2/c1-10(2)16-6-11-4-14-9-17(11)12(7-16)5-15-13(18)8-19-3/h4,9-10,12H,5-8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyWGQGHZDZMBNLBY-LBPRGKRZSA-N
MW266.34 g/mol
LogP0.41
Rot. Bonds5

About 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide

2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide (PubChem CID 124809114) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
PubChem CID124809114
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1CN(C(C)C)Cc2cncn21
InChIInChI=1S/C13H22N4O2/c1-10(2)16-6-11-4-14-9-17(11)12(7-16)5-15-13(18)8-19-3/h4,9-10,12H,5-8H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyWGQGHZDZMBNLBY-LBPRGKRZSA-N
XLogP0.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]acetamide
CID 131655359
2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124802447
N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine
CID 131659176
2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 131655126
7-(cyclobutanecarbonyl)-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694370
N-[[(5S)-7-[2-(2-methylphenoxy)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124806194
N-[[7-(cyclopentene-1-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131639258
2-[[(5R)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124782862
2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
CID 124814050
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
N-[[(5S)-7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124784097
N-[[(5R)-7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124782697

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide (CID 124809114) is 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide is COCC(=O)NC[C@H]1CN(C(C)C)Cc2cncn21.
What is the InChIKey of 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
The InChIKey is WGQGHZDZMBNLBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)16-6-11-4-14-9-17(11)12(7-16)5-15-13(18)8-19-3/h4,9-10,12H,5-8H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide?
2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(5S)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide is sourced from PubChem (CID 124809114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).