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

C18H21F5N6O3 — CID 155852088

IUPAC(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3cncn3C(C(=O)N3CC(F)(F)C3)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20F2N6O.C2HF3O2/c1-11-3-12(21(2)20-11)5-22-6-13-4-19-10-24(13)14(7-22)15(25)23-8-16(17,18)9-23;3-2(4,5)1(6)7/h3-4,10,14H,5-9H2,1-2H3;(H,6,7)
InChIKeyWNDCCNVJKKNOMQ-UHFFFAOYSA-N
MW464.40 g/mol
LogP1.59
Rot. Bonds3

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

(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155852088) has the molecular formula C18H21F5N6O3 and a molecular weight of 464.40 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-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-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155852088
Molecular FormulaC18H21F5N6O3
Molecular Weight464.40 g/mol
Exact Mass464.16
IUPAC Name(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3cncn3C(C(=O)N3CC(F)(F)C3)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20F2N6O.C2HF3O2/c1-11-3-12(21(2)20-11)5-22-6-13-4-19-10-24(13)14(7-22)15(25)23-8-16(17,18)9-23;3-2(4,5)1(6)7/h3-4,10,14H,5-9H2,1-2H3;(H,6,7)
InChIKeyWNDCCNVJKKNOMQ-UHFFFAOYSA-N
XLogP1.59
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-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-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid (CID 155852088) is (3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-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-[(2,5-dimethylpyrazol-3-yl)methyl]-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-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid is Cc1cc(CN2Cc3cncn3C(C(=O)N3CC(F)(F)C3)C2)n(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is WNDCCNVJKKNOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O.C2HF3O2/c1-11-3-12(21(2)20-11)5-22-6-13-4-19-10-24(13)14(7-22)15(25)23-8-16(17,18)9-23;3-2(4,5)1(6)7/h3-4,10,14H,5-9H2,1-2H3;(H,6,7).
What are the key properties of (3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 464.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155852088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).