10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one

C24H20FN5O2 — CID 123254237

IUPAC10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
SMILESO=C1CC(c2ccccc2)c2c1nc1cc(F)c(-c3cnc(N4CCOCC4)nc3)cn21
InChIInChI=1S/C24H20FN5O2/c25-19-11-21-28-22-20(31)10-17(15-4-2-1-3-5-15)23(22)30(21)14-18(19)16-12-26-24(27-13-16)29-6-8-32-9-7-29/h1-5,11-14,17H,6-10H2
InChIKeyWLKRWLGCWVILJJ-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.49
Rot. Bonds3

About 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one

10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one (PubChem CID 123254237) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one.

Molecular Properties

Compound Name10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
PubChem CID123254237
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one
SMILESO=C1CC(c2ccccc2)c2c1nc1cc(F)c(-c3cnc(N4CCOCC4)nc3)cn21
InChIInChI=1S/C24H20FN5O2/c25-19-11-21-28-22-20(31)10-17(15-4-2-1-3-5-15)23(22)30(21)14-18(19)16-12-26-24(27-13-16)29-6-8-32-9-7-29/h1-5,11-14,17H,6-10H2
InChIKeyWLKRWLGCWVILJJ-UHFFFAOYSA-N
XLogP3.49
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one?
The IUPAC name of 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one (CID 123254237) is 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one.
What is the SMILES notation for 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one?
The canonical SMILES for 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one is O=C1CC(c2ccccc2)c2c1nc1cc(F)c(-c3cnc(N4CCOCC4)nc3)cn21.
What is the InChIKey of 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one?
The InChIKey is WLKRWLGCWVILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-19-11-21-28-22-20(31)10-17(15-4-2-1-3-5-15)23(22)30(21)14-18(19)16-12-26-24(27-13-16)29-6-8-32-9-7-29/h1-5,11-14,17H,6-10H2.
What are the key properties of 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one?
10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one has a molecular weight of 429.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-11-(2-morpholin-4-ylpyrimidin-5-yl)-3-phenyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraen-5-one is sourced from PubChem (CID 123254237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).