2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole

C17H23F3N6O — CID 146114400

IUPAC2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCn3c(C(F)(F)F)nc(C4CCN(C)CC4)c3C2)o1
InChIInChI=1S/C17H23F3N6O/c1-11-22-23-14(27-11)10-25-7-8-26-13(9-25)15(21-16(26)17(18,19)20)12-3-5-24(2)6-4-12/h12H,3-10H2,1-2H3
InChIKeyCZJPQRKLTHSDHQ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole

2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole (PubChem CID 146114400) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole
PubChem CID146114400
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCn3c(C(F)(F)F)nc(C4CCN(C)CC4)c3C2)o1
InChIInChI=1S/C17H23F3N6O/c1-11-22-23-14(27-11)10-25-7-8-26-13(9-25)15(21-16(26)17(18,19)20)12-3-5-24(2)6-4-12/h12H,3-10H2,1-2H3
InChIKeyCZJPQRKLTHSDHQ-UHFFFAOYSA-N
XLogP2.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole (CID 146114400) is 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCn3c(C(F)(F)F)nc(C4CCN(C)CC4)c3C2)o1.
What is the InChIKey of 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CZJPQRKLTHSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-11-22-23-14(27-11)10-25-7-8-26-13(9-25)15(21-16(26)17(18,19)20)12-3-5-24(2)6-4-12/h12H,3-10H2,1-2H3.
What are the key properties of 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 384.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146114400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).