(8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C17H22F3N3O3 — CID 75368709

IUPAC(8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN2C1=O
InChIInChI=1S/C17H22F3N3O3/c1-25-8-7-22-12-14-11-21(5-6-23(14)16(22)24)10-13-3-2-4-15(9-13)26-17(18,19)20/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m1/s1
InChIKeyBIAQKVFBWUMDIP-CQSZACIVSA-N
MW373.38 g/mol
LogP2.15
Rot. Bonds6

About (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368709) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368709
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name(8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN2C1=O
InChIInChI=1S/C17H22F3N3O3/c1-25-8-7-22-12-14-11-21(5-6-23(14)16(22)24)10-13-3-2-4-15(9-13)26-17(18,19)20/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m1/s1
InChIKeyBIAQKVFBWUMDIP-CQSZACIVSA-N
XLogP2.15
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8aR)-2-[(4-methoxyphenyl)methyl]-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368633
7-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75515100
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162801184
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
(8aR)-7-[(3-methoxyphenyl)methyl]-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537049
(8aR)-7-(1H-imidazol-2-ylmethyl)-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537141
(1S,5R)-6-(cyclopropylmethyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70726684
4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26356168
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
(8aR)-7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537136
(3S,4S)-3-hydroxy-4-propyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 135117228

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368709) is (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COCCN1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN2C1=O.
What is the InChIKey of (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is BIAQKVFBWUMDIP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-25-8-7-22-12-14-11-21(5-6-23(14)16(22)24)10-13-3-2-4-15(9-13)26-17(18,19)20/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 373.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(2-methoxyethyl)-7-[[3-(trifluoromethoxy)phenyl]methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).