1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide

C12H20FN5O2 — CID 142521028

IUPAC1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC1CN2C=NC(C(N)=O)([C@@H](C)CF)C2CN1C(N)=O
InChIInChI=1S/C12H20FN5O2/c1-7(3-13)12(10(14)19)9-5-18(11(15)20)8(2)4-17(9)6-16-12/h6-9H,3-5H2,1-2H3,(H2,14,19)(H2,15,20)/t7-,8?,9?,12?/m0/s1
InChIKeySRSIEVXIHFXWAL-OXNNPCHQSA-N
MW285.32 g/mol
LogP-0.69
Rot. Bonds3

About 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide

1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 142521028) has the molecular formula C12H20FN5O2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID142521028
Molecular FormulaC12H20FN5O2
Molecular Weight285.32 g/mol
Exact Mass285.16
IUPAC Name1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC1CN2C=NC(C(N)=O)([C@@H](C)CF)C2CN1C(N)=O
InChIInChI=1S/C12H20FN5O2/c1-7(3-13)12(10(14)19)9-5-18(11(15)20)8(2)4-17(9)6-16-12/h6-9H,3-5H2,1-2H3,(H2,14,19)(H2,15,20)/t7-,8?,9?,12?/m0/s1
InChIKeySRSIEVXIHFXWAL-OXNNPCHQSA-N
XLogP-0.69
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1,1-Trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 142521022
1-[(2R)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 142521030
1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 142521038
4-[[2-Amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]piperidine-1-carboxamide
CID 57844166
3-[[2-Amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]piperidine-1-carboxamide
CID 57844570
1-(1-Methylcyclobutyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 142521026
1-(1-Methylcyclopropyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 142521039

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 142521028) is 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.
What is the SMILES notation for 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is CC1CN2C=NC(C(N)=O)([C@@H](C)CF)C2CN1C(N)=O.
What is the InChIKey of 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is SRSIEVXIHFXWAL-OXNNPCHQSA-N. The full InChI is InChI=1S/C12H20FN5O2/c1-7(3-13)12(10(14)19)9-5-18(11(15)20)8(2)4-17(9)6-16-12/h6-9H,3-5H2,1-2H3,(H2,14,19)(H2,15,20)/t7-,8?,9?,12?/m0/s1.
What are the key properties of 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 285.32 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-fluoropropan-2-yl]-6-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 142521028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).