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

C16H18F2N4OS — CID 133144302

IUPAC(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESCC1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1Cc1ccsc1
InChIInChI=1S/C16H18F2N4OS/c1-11-14-19-13(15(23)22-9-16(17,18)10-22)7-21(14)4-3-20(11)6-12-2-5-24-8-12/h2,5,7-8,11H,3-4,6,9-10H2,1H3
InChIKeyAICBPPOISBLLFX-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.61
Rot. Bonds3

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

(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 133144302) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
PubChem CID133144302
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC Name(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESCC1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1Cc1ccsc1
InChIInChI=1S/C16H18F2N4OS/c1-11-14-19-13(15(23)22-9-16(17,18)10-22)7-21(14)4-3-20(11)6-12-2-5-24-8-12/h2,5,7-8,11H,3-4,6,9-10H2,1H3
InChIKeyAICBPPOISBLLFX-UHFFFAOYSA-N
XLogP2.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone (CID 133144302) is (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone is CC1c2nc(C(=O)N3CC(F)(F)C3)cn2CCN1Cc1ccsc1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is AICBPPOISBLLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c1-11-14-19-13(15(23)22-9-16(17,18)10-22)7-21(14)4-3-20(11)6-12-2-5-24-8-12/h2,5,7-8,11H,3-4,6,9-10H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 133144302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).