3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one

C24H23FN4O5 — CID 67351410

IUPAC3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCNCC2Cn3c(=O)ccc4ccc(F)c2c43)CN1c1ccc2c(n1)OCCO2
InChIInChI=1S/C24H23FN4O5/c25-17-3-1-14-2-6-20(30)29-12-15(21(17)22(14)29)11-26-8-7-16-13-28(24(31)34-16)19-5-4-18-23(27-19)33-10-9-32-18/h1-6,15-16,26H,7-13H2
InChIKeyCSFVSXQNHQCKNC-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.41
Rot. Bonds6

About 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one

3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 67351410) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one
PubChem CID67351410
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCNCC2Cn3c(=O)ccc4ccc(F)c2c43)CN1c1ccc2c(n1)OCCO2
InChIInChI=1S/C24H23FN4O5/c25-17-3-1-14-2-6-20(30)29-12-15(21(17)22(14)29)11-26-8-7-16-13-28(24(31)34-16)19-5-4-18-23(27-19)33-10-9-32-18/h1-6,15-16,26H,7-13H2
InChIKeyCSFVSXQNHQCKNC-UHFFFAOYSA-N
XLogP2.41
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 67350611
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[2-[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
CID 67351725
6-[(5R)-5-[[2-(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67350287
(5R)-3-(4-ethoxyphenyl)-5-[[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 45380697
(5R)-5-[[2-(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67349051
6-[(5S)-2-oxo-5-[2-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 67351828
6-[5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146458463
3-[[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]methyl]-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;dihydrochloride
CID 25100466
(3R)-3-amino-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 67351939
3-[[(4S)-3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 70831029
5-[2-[[(2R)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-yl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 68786815
(3R)-5-fluoro-3-[[4-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]piperidin-1-yl]methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one;hydrochloride
CID 68556054

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one (CID 67351410) is 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one is O=C1OC(CCNCC2Cn3c(=O)ccc4ccc(F)c2c43)CN1c1ccc2c(n1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is CSFVSXQNHQCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c25-17-3-1-14-2-6-20(30)29-12-15(21(17)22(14)29)11-26-8-7-16-13-28(24(31)34-16)19-5-4-18-23(27-19)33-10-9-32-18/h1-6,15-16,26H,7-13H2.
What are the key properties of 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one?
3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 466.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-5-[2-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67351410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).