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

C18H26F2N4O — CID 131650941

IUPAC2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
SMILESCC1c2nc(CC(=O)N3CC(F)(F)C3)cn2CCN1CC1CCCC1
InChIInChI=1S/C18H26F2N4O/c1-13-17-21-15(8-16(25)24-11-18(19,20)12-24)10-23(17)7-6-22(13)9-14-4-2-3-5-14/h10,13-14H,2-9,11-12H2,1H3
InChIKeyNKGKTDZOYPGIAY-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.47
Rot. Bonds4

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

2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone (PubChem CID 131650941) has the molecular formula C18H26F2N4O and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
PubChem CID131650941
Molecular FormulaC18H26F2N4O
Molecular Weight352.43 g/mol
Exact Mass352.21
IUPAC Name2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
SMILESCC1c2nc(CC(=O)N3CC(F)(F)C3)cn2CCN1CC1CCCC1
InChIInChI=1S/C18H26F2N4O/c1-13-17-21-15(8-16(25)24-11-18(19,20)12-24)10-23(17)7-6-22(13)9-14-4-2-3-5-14/h10,13-14H,2-9,11-12H2,1H3
InChIKeyNKGKTDZOYPGIAY-UHFFFAOYSA-N
XLogP2.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(cyclohexylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylacetamide
CID 133142390
[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 131654486
2-[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 133143017
7-(cyclohexylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131639707
2-[(8R)-7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 124910184
4-methyl-1-[8-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pentan-1-one
CID 131694314
2-[7-(cyclobutanecarbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone
CID 131695268
2-(7-cyclopentyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N-cyclopropylacetamide
CID 131658212
2-[(8R)-7-cyclopentyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-cyclopropylacetamide
CID 124910267
N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 131649418
N,N-dimethyl-2-[8-methyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 131663581
2-[(8S)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone
CID 124802829

Frequently Asked Questions

What is the IUPAC name of 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone?
The IUPAC name of 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone (CID 131650941) is 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone?
The canonical SMILES for 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone is CC1c2nc(CC(=O)N3CC(F)(F)C3)cn2CCN1CC1CCCC1.
What is the InChIKey of 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone?
The InChIKey is NKGKTDZOYPGIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O/c1-13-17-21-15(8-16(25)24-11-18(19,20)12-24)10-23(17)7-6-22(13)9-14-4-2-3-5-14/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone?
2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone has a molecular weight of 352.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 131650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).