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

C12H14F3N3O2 — CID 164635232

IUPAC[(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCO[C@H]1C[C@@H]1C(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3N3O2/c1-20-9-4-8(9)10(19)17-2-3-18-7(6-17)5-16-11(18)12(13,14)15/h5,8-9H,2-4,6H2,1H3/t8-,9-/m0/s1
InChIKeyVGUSTPBSKCPCCY-IUCAKERBSA-N
MW289.26 g/mol
LogP1.28
Rot. Bonds2

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

[(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164635232) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID164635232
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name[(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCO[C@H]1C[C@@H]1C(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3N3O2/c1-20-9-4-8(9)10(19)17-2-3-18-7(6-17)5-16-11(18)12(13,14)15/h5,8-9H,2-4,6H2,1H3/t8-,9-/m0/s1
InChIKeyVGUSTPBSKCPCCY-IUCAKERBSA-N
XLogP1.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 164635232) is [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is CO[C@H]1C[C@@H]1C(=O)N1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is VGUSTPBSKCPCCY-IUCAKERBSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-20-9-4-8(9)10(19)17-2-3-18-7(6-17)5-16-11(18)12(13,14)15/h5,8-9H,2-4,6H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 289.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164635232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).