methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C11H14F3N3O3 — CID 168861013

IUPACmethyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(cnc2[C@@](C)(O)C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O3/c1-10(19,11(12,13)14)8-15-5-7-6-16(9(18)20-2)3-4-17(7)8/h5,19H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyNHJRDMBPDSCVLB-SNVBAGLBSA-N
MW293.25 g/mol
LogP1.23
Rot. Bonds1

About methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 168861013) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID168861013
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Namemethyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2c(cnc2[C@@](C)(O)C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O3/c1-10(19,11(12,13)14)8-15-5-7-6-16(9(18)20-2)3-4-17(7)8/h5,19H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyNHJRDMBPDSCVLB-SNVBAGLBSA-N
XLogP1.23
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 168861013) is methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is COC(=O)N1CCn2c(cnc2[C@@](C)(O)C(F)(F)F)C1.
What is the InChIKey of methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is NHJRDMBPDSCVLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-10(19,11(12,13)14)8-15-5-7-6-16(9(18)20-2)3-4-17(7)8/h5,19H,3-4,6H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 293.25 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 168861013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).