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

C15H21N5O2 — CID 97474179

IUPAC[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1ccn(C)n1)[C@H]2C
InChIInChI=1S/C15H21N5O2/c1-4-22-10-12-9-16-14-11(2)19(7-8-20(12)14)15(21)13-5-6-18(3)17-13/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyGJBLVIOHYVRITP-NSHDSACASA-N
MW303.37 g/mol
LogP1.37
Rot. Bonds4

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

[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97474179) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97474179
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1ccn(C)n1)[C@H]2C
InChIInChI=1S/C15H21N5O2/c1-4-22-10-12-9-16-14-11(2)19(7-8-20(12)14)15(21)13-5-6-18(3)17-13/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyGJBLVIOHYVRITP-NSHDSACASA-N
XLogP1.37
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889
(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-(2-ethoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylpyrazol-3-yl)methanone
CID 131694496
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 131644098
(8R)-3-(ethoxymethyl)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421879
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-(methoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97421813
[(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
[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

Frequently Asked Questions

What is the IUPAC name of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone (CID 97474179) is [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone is CCOCc1cnc2n1CCN(C(=O)c1ccn(C)n1)[C@H]2C.
What is the InChIKey of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is GJBLVIOHYVRITP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-22-10-12-9-16-14-11(2)19(7-8-20(12)14)15(21)13-5-6-18(3)17-13/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone?
[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97474179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).