(3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid

C17H17F5N4O4 — CID 155848071

IUPAC(3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CN(Cc2ccoc2)Cc2cncn21)N1CC(F)(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16F2N4O2.C2HF3O2/c16-15(17)8-20(9-15)14(22)13-6-19(4-11-1-2-23-7-11)5-12-3-18-10-21(12)13;3-2(4,5)1(6)7/h1-3,7,10,13H,4-6,8-9H2;(H,6,7)
InChIKeyQDJUPRDMFREDLR-UHFFFAOYSA-N
MW436.34 g/mol
LogP2.14
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid

(3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155848071) has the molecular formula C17H17F5N4O4 and a molecular weight of 436.34 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155848071
Molecular FormulaC17H17F5N4O4
Molecular Weight436.34 g/mol
Exact Mass436.12
IUPAC Name(3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CN(Cc2ccoc2)Cc2cncn21)N1CC(F)(F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16F2N4O2.C2HF3O2/c16-15(17)8-20(9-15)14(22)13-6-19(4-11-1-2-23-7-11)5-12-3-18-10-21(12)13;3-2(4,5)1(6)7/h1-3,7,10,13H,4-6,8-9H2;(H,6,7)
InChIKeyQDJUPRDMFREDLR-UHFFFAOYSA-N
XLogP2.14
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(furan-3-ylmethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133136983
7-(furan-3-ylmethyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131654510
[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-morpholin-4-ylmethanone
CID 131650828
7-(cyclopropylmethoxymethyl)-5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155828201
N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155866383
(5R)-7-(furan-3-ylmethyl)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124803021
2-cyclopropyl-N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155847923
7-(furan-3-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155852006
N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 155826888
7-(cyclopropylmethoxymethyl)-5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155861331
(3aS,7aS)-2-(furan-3-ylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155864196
(3,3-difluoroazetidin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155864418

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid (CID 155848071) is (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CN(Cc2ccoc2)Cc2cncn21)N1CC(F)(F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is QDJUPRDMFREDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2.C2HF3O2/c16-15(17)8-20(9-15)14(22)13-6-19(4-11-1-2-23-7-11)5-12-3-18-10-21(12)13;3-2(4,5)1(6)7/h1-3,7,10,13H,4-6,8-9H2;(H,6,7).
What are the key properties of (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
(3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 436.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155848071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).