1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C18H16FN3O2S — CID 24892387

IUPAC1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccnc1)N1CCn2cccc2C1c1ccccc1F
InChIInChI=1S/C18H16FN3O2S/c19-16-7-2-1-6-15(16)18-17-8-4-10-21(17)11-12-22(18)25(23,24)14-5-3-9-20-13-14/h1-10,13,18H,11-12H2
InChIKeyOZKYDGVDHNPKGG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 24892387) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID24892387
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccnc1)N1CCn2cccc2C1c1ccccc1F
InChIInChI=1S/C18H16FN3O2S/c19-16-7-2-1-6-15(16)18-17-8-4-10-21(17)11-12-22(18)25(23,24)14-5-3-9-20-13-14/h1-10,13,18H,11-12H2
InChIKeyOZKYDGVDHNPKGG-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 24892387) is 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1cccnc1)N1CCn2cccc2C1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is OZKYDGVDHNPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-16-7-2-1-6-15(16)18-17-8-4-10-21(17)11-12-22(18)25(23,24)14-5-3-9-20-13-14/h1-10,13,18H,11-12H2.
What are the key properties of 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 357.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 24892387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).