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

C16H21N5O2 — CID 97421889

IUPAC[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C
InChIInChI=1S/C16H21N5O2/c1-4-23-10-13-8-19-15-12(3)20(5-6-21(13)15)16(22)14-9-17-11(2)7-18-14/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1
InChIKeyWJFATMGNODCJCG-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds4

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

[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 97421889) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID97421889
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C
InChIInChI=1S/C16H21N5O2/c1-4-23-10-13-8-19-15-12(3)20(5-6-21(13)15)16(22)14-9-17-11(2)7-18-14/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1
InChIKeyWJFATMGNODCJCG-GFCCVEGCSA-N
XLogP1.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 97421886
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 131644098
[(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
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 131695576
[(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylthiophen-2-yl)methanone
CID 97421996
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
CID 118741079
[3-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrazol-3-yl)methanone
CID 131694496
[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-2-pyridinyl)methanone
CID 131642566
2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97421882
furan-2-yl-[(8S)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422026
furan-2-yl-[(8R)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422025

Frequently Asked Questions

What is the IUPAC name of [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone (CID 97421889) is [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone is CCOCc1cnc2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C.
What is the InChIKey of [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is WJFATMGNODCJCG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-23-10-13-8-19-15-12(3)20(5-6-21(13)15)16(22)14-9-17-11(2)7-18-14/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1.
What are the key properties of [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone?
[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 97421889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).