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

C16H20F2N6O — CID 131640556

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
SMILESCc1cc(CN2Cc3cncn3C(C(=O)N3CC(F)(F)C3)C2)n(C)n1
InChIInChI=1S/C16H20F2N6O/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/h3-4,10,14H,5-9H2,1-2H3
InChIKeyUTJCJJLFMDKJML-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.96
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

(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 131640556) has the molecular formula C16H20F2N6O and a molecular weight of 350.37 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.

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
PubChem CID131640556
Molecular FormulaC16H20F2N6O
Molecular Weight350.37 g/mol
Exact Mass350.17
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
SMILESCc1cc(CN2Cc3cncn3C(C(=O)N3CC(F)(F)C3)C2)n(C)n1
InChIInChI=1S/C16H20F2N6O/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/h3-4,10,14H,5-9H2,1-2H3
InChIKeyUTJCJJLFMDKJML-UHFFFAOYSA-N
XLogP0.96
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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?
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 (CID 131640556) 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.
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?
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 is Cc1cc(CN2Cc3cncn3C(C(=O)N3CC(F)(F)C3)C2)n(C)n1.
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?
The InChIKey is UTJCJJLFMDKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O/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/h3-4,10,14H,5-9H2,1-2H3.
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?
(3,3-difluoroazetidin-1-yl)-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 350.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 131640556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).