2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

C19H24FN3O — CID 42812378

IUPAC2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-19(2,3)21-13-17(24)23-12-11-22-10-4-5-16(22)18(23)14-6-8-15(20)9-7-14/h4-10,18,21H,11-13H2,1-3H3
InChIKeySVWQTFXQYDLJBN-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.95
Rot. Bonds3

About 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 42812378) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
PubChem CID42812378
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CCn2cccc2C1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-19(2,3)21-13-17(24)23-12-11-22-10-4-5-16(22)18(23)14-6-8-15(20)9-7-14/h4-10,18,21H,11-13H2,1-3H3
InChIKeySVWQTFXQYDLJBN-UHFFFAOYSA-N
XLogP2.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
CID 3624003
N-(4-tert-butylphenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994443
N-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methylpropyl)ethanesulfonamide
CID 42813046
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
2-(tert-butylamino)-1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 811400
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42779338
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
1-[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylpropylamino)ethanone
CID 42782363
1-(4-fluorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812963
4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 93304883
N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide
CID 68696123
1-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4609321

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone (CID 42812378) is 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone is CC(C)(C)NCC(=O)N1CCn2cccc2C1c1ccc(F)cc1.
What is the InChIKey of 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is SVWQTFXQYDLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-19(2,3)21-13-17(24)23-12-11-22-10-4-5-16(22)18(23)14-6-8-15(20)9-7-14/h4-10,18,21H,11-13H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 42812378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).