(4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone

C18H13FN2O2 — CID 155755566

IUPAC(4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccco2)N=Cc2cccn21
InChIInChI=1S/C18H13FN2O2/c19-13-7-5-12(6-8-13)18(22)17-16(15-4-2-10-23-15)20-11-14-3-1-9-21(14)17/h1-11,16-17H/t16-,17+/m1/s1
InChIKeyXRZQYXIMBUTXTM-SJORKVTESA-N
MW308.31 g/mol
LogP3.82
Rot. Bonds3

About (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone

(4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone (PubChem CID 155755566) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
PubChem CID155755566
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name(4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccco2)N=Cc2cccn21
InChIInChI=1S/C18H13FN2O2/c19-13-7-5-12(6-8-13)18(22)17-16(15-4-2-10-23-15)20-11-14-3-1-9-21(14)17/h1-11,16-17H/t16-,17+/m1/s1
InChIKeyXRZQYXIMBUTXTM-SJORKVTESA-N
XLogP3.82
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone (CID 155755566) is (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone is O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccco2)N=Cc2cccn21.
What is the InChIKey of (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The InChIKey is XRZQYXIMBUTXTM-SJORKVTESA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-13-7-5-12(6-8-13)18(22)17-16(15-4-2-10-23-15)20-11-14-3-1-9-21(14)17/h1-11,16-17H/t16-,17+/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
(4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone has a molecular weight of 308.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone is sourced from PubChem (CID 155755566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).