cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C17H22N4O2S — CID 118739398

IUPACcyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1nc(COCc2cnc3n2CCN(C(=O)C2CC2)C3C)cs1
InChIInChI=1S/C17H22N4O2S/c1-11-16-18-7-15(9-23-8-14-10-24-12(2)19-14)21(16)6-5-20(11)17(22)13-3-4-13/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyOUJUHGYKLUGAOJ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.68
Rot. Bonds5

About cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 118739398) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID118739398
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Namecyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1nc(COCc2cnc3n2CCN(C(=O)C2CC2)C3C)cs1
InChIInChI=1S/C17H22N4O2S/c1-11-16-18-7-15(9-23-8-14-10-24-12(2)19-14)21(16)6-5-20(11)17(22)13-3-4-13/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyOUJUHGYKLUGAOJ-UHFFFAOYSA-N
XLogP2.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 118739398) is cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1nc(COCc2cnc3n2CCN(C(=O)C2CC2)C3C)cs1.
What is the InChIKey of cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is OUJUHGYKLUGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-16-18-7-15(9-23-8-14-10-24-12(2)19-14)21(16)6-5-20(11)17(22)13-3-4-13/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 118739398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).