8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C17H13F2N3O — CID 118341148

IUPAC8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccnc(F)c4)cc(F)cc13)CCNC2=O
InChIInChI=1S/C17H13F2N3O/c1-9-12-7-11(18)8-13(10-2-3-20-14(19)6-10)16(12)22-5-4-21-17(23)15(9)22/h2-3,6-8H,4-5H2,1H3,(H,21,23)
InChIKeyWNKYICQPDJAYIU-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.03
Rot. Bonds1

About 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 118341148) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID118341148
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccnc(F)c4)cc(F)cc13)CCNC2=O
InChIInChI=1S/C17H13F2N3O/c1-9-12-7-11(18)8-13(10-2-3-20-14(19)6-10)16(12)22-5-4-21-17(23)15(9)22/h2-3,6-8H,4-5H2,1H3,(H,21,23)
InChIKeyWNKYICQPDJAYIU-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 118341148) is 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4ccnc(F)c4)cc(F)cc13)CCNC2=O.
What is the InChIKey of 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is WNKYICQPDJAYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-9-12-7-11(18)8-13(10-2-3-20-14(19)6-10)16(12)22-5-4-21-17(23)15(9)22/h2-3,6-8H,4-5H2,1H3,(H,21,23).
What are the key properties of 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 313.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 118341148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).