4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide

C22H22FN3O3 — CID 93304883

IUPAC4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C22H22FN3O3/c23-17-7-5-16(6-8-17)22-19-4-1-11-25(19)12-13-26(22)21(28)10-9-20(27)24-15-18-3-2-14-29-18/h1-8,11,14,22H,9-10,12-13,15H2,(H,24,27)/t22-/m1/s1
InChIKeyWDFMPHXGLFQQDU-JOCHJYFZSA-N
MW395.43 g/mol
LogP3.25
Rot. Bonds6

About 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide

4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide (PubChem CID 93304883) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
PubChem CID93304883
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C22H22FN3O3/c23-17-7-5-16(6-8-17)22-19-4-1-11-25(19)12-13-26(22)21(28)10-9-20(27)24-15-18-3-2-14-29-18/h1-8,11,14,22H,9-10,12-13,15H2,(H,24,27)/t22-/m1/s1
InChIKeyWDFMPHXGLFQQDU-JOCHJYFZSA-N
XLogP3.25
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide with MolForge

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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-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384304
4-[(1R)-1-(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 93305104
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 14674759
1-(4-fluorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812963
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 128972858
1-(4-ethoxyphenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810903
N-[2-[1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methylpropyl)ethanesulfonamide
CID 42813046
N,1-bis(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 5121845

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide (CID 93304883) is 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide is O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
The InChIKey is WDFMPHXGLFQQDU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-7-5-16(6-8-17)22-19-4-1-11-25(19)12-13-26(22)21(28)10-9-20(27)24-15-18-3-2-14-29-18/h1-8,11,14,22H,9-10,12-13,15H2,(H,24,27)/t22-/m1/s1.
What are the key properties of 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide has a molecular weight of 395.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 93304883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).