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

C18H23N3O2S — CID 118741078

IUPAC[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)cnc3C2C)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
InChIKeyVOWWTARFUCYQKG-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.40
Rot. Bonds5

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

[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 118741078) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID118741078
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[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)cnc3C2C)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
InChIKeyVOWWTARFUCYQKG-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone (CID 118741078) is [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 [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [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)cnc3C2C)s1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is VOWWTARFUCYQKG-UHFFFAOYSA-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.
What are the key properties of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone?
[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 [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 118741078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).