[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone

C18H23N3O2S — CID 97421996

IUPAC[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3c(COCC4CC4)cnc3[C@H]2C)s1
InChIInChI=1S/C18H23N3O2S/c1-12-3-6-16(24-12)18(22)20-7-8-21-15(9-19-17(21)13(20)2)11-23-10-14-4-5-14/h3,6,9,13-14H,4-5,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyVOWWTARFUCYQKG-CYBMUJFWSA-N
MW345.47 g/mol
LogP3.40
Rot. Bonds5

About [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone

[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 97421996) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID97421996
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3c(COCC4CC4)cnc3[C@H]2C)s1
InChIInChI=1S/C18H23N3O2S/c1-12-3-6-16(24-12)18(22)20-7-8-21-15(9-19-17(21)13(20)2)11-23-10-14-4-5-14/h3,6,9,13-14H,4-5,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyVOWWTARFUCYQKG-CYBMUJFWSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 118741079
furan-2-yl-[(8R)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422025
furan-2-yl-[(8S)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422026
[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 131644098
2-cyclopropyl-1-[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 131644046
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421931
[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97421871
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97421777
[(4aS,7R,7aR)-7-(cyclopropylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 97388163
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 131695576

Frequently Asked Questions

What is the IUPAC name of [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone (CID 97421996) is [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCn3c(COCC4CC4)cnc3[C@H]2C)s1.
What is the InChIKey of [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is VOWWTARFUCYQKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-3-6-16(24-12)18(22)20-7-8-21-15(9-19-17(21)13(20)2)11-23-10-14-4-5-14/h3,6,9,13-14H,4-5,7-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 97421996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).