4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide

C20H23F2N3O — CID 177222753

IUPAC4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCn3cccc3C23CC(F)(F)C3)cc1
InChIInChI=1S/C20H23F2N3O/c1-23(2)18(26)16-7-5-15(6-8-16)12-25-11-10-24-9-3-4-17(24)19(25)13-20(21,22)14-19/h3-9H,10-14H2,1-2H3
InChIKeyAFOOBNZCXXCWBW-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.33
Rot. Bonds3

About 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide

4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide (PubChem CID 177222753) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide
PubChem CID177222753
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCn3cccc3C23CC(F)(F)C3)cc1
InChIInChI=1S/C20H23F2N3O/c1-23(2)18(26)16-7-5-15(6-8-16)12-25-11-10-24-9-3-4-17(24)19(25)13-20(21,22)14-19/h3-9H,10-14H2,1-2H3
InChIKeyAFOOBNZCXXCWBW-UHFFFAOYSA-N
XLogP3.33
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-2-[[4-(dimethylcarbamoyl)phenyl]methyl]-1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-6-carboxamide
CID 177222468
7-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[5,6-dihydroimidazo[1,5-a]pyrazine-8,1'-cyclobutane]-3-carboxylic acid
CID 177222650
N-[[4-[[1-(1-cyclobutylpiperidin-4-yl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-2-[[4-(dimethylcarbamoyl)phenyl]methyl]-1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-6-carboxamide
CID 177222729
methyl 2-[[4-(dimethylcarbamoyl)phenyl]methyl]-8-fluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxylate
CID 177222583
methyl 2-[[4-(dimethylcarbamoyl)phenyl]methyl]-8-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-oxetane]-6-carboxylate
CID 177222588
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
N-[(3-acetamido-1-bicyclo[1.1.1]pentanyl)methyl]-2-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222533
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
CID 177222188
CID 177222188
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
methyl 8-bromo-2-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-oxetane]-6-carboxylate
CID 177222307

Frequently Asked Questions

What is the IUPAC name of 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide (CID 177222753) is 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2CCn3cccc3C23CC(F)(F)C3)cc1.
What is the InChIKey of 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide?
The InChIKey is AFOOBNZCXXCWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-23(2)18(26)16-7-5-15(6-8-16)12-25-11-10-24-9-3-4-17(24)19(25)13-20(21,22)14-19/h3-9H,10-14H2,1-2H3.
What are the key properties of 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide?
4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide has a molecular weight of 359.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1',1'-difluorospiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-2-yl)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177222753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).