3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole

C17H22N6O — CID 97392186

IUPAC3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2[C@@H]1C
InChIInChI=1S/C17H22N6O/c1-12-16(14(3)24-20-12)11-21-7-8-23-15(9-18-17(23)13(21)2)10-22-6-4-5-19-22/h4-6,9,13H,7-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZXAQMVAQBZRGOU-ZDUSSCGKSA-N
MW326.40 g/mol
LogP2.31
Rot. Bonds4

About 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (PubChem CID 97392186) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
PubChem CID97392186
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2[C@@H]1C
InChIInChI=1S/C17H22N6O/c1-12-16(14(3)24-20-12)11-21-7-8-23-15(9-18-17(23)13(21)2)10-22-6-4-5-19-22/h4-6,9,13H,7-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZXAQMVAQBZRGOU-ZDUSSCGKSA-N
XLogP2.31
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

3,5-dimethyl-4-[[(8R)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392197
8-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131643751
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 118742691
(5-methylfuran-2-yl)-[(8R)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384599
(8S)-7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384615
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 133137442
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747077
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
CID 134076251
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 121496147
7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155829245

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole (CID 97392186) is 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2[C@@H]1C.
What is the InChIKey of 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The InChIKey is ZXAQMVAQBZRGOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-16(14(3)24-20-12)11-21-7-8-23-15(9-18-17(23)13(21)2)10-22-6-4-5-19-22/h4-6,9,13H,7-8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole has a molecular weight of 326.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97392186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).