3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C24H19F3N4O3 — CID 67438609

IUPAC3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1cc(-c3cccnc3F)c(F)cc1Oc1c(F)cc(N3CCOCC3)cc12
InChIInChI=1S/C24H19F3N4O3/c25-18-11-20-16(10-15(18)14-2-1-3-29-22(14)27)24(12-33-23(28)30-24)17-8-13(9-19(26)21(17)34-20)31-4-6-32-7-5-31/h1-3,8-11H,4-7,12H2,(H2,28,30)
InChIKeyLWYQWLMIJMEFGB-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.70
Rot. Bonds2

About 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 67438609) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID67438609
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1cc(-c3cccnc3F)c(F)cc1Oc1c(F)cc(N3CCOCC3)cc12
InChIInChI=1S/C24H19F3N4O3/c25-18-11-20-16(10-15(18)14-2-1-3-29-22(14)27)24(12-33-23(28)30-24)17-8-13(9-19(26)21(17)34-20)31-4-6-32-7-5-31/h1-3,8-11H,4-7,12H2,(H2,28,30)
InChIKeyLWYQWLMIJMEFGB-UHFFFAOYSA-N
XLogP3.70
TPSA82.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-morpholin-4-ylspiro[5,6-dihydro-1,3-oxazine-4,9'-xanthene]-2-amine
CID 58465957
(4R)-8'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67383475
3-[2-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]oxy-2,2-dimethylpropanenitrile
CID 67241717
5-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67440122
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
3'-(3,6-dihydro-2H-pyran-4-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241023
2'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-iodospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466183
7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466232
(4S)-2-amino-7'-bromo-4'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;(4S)-2'-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4'-fluoro-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 157342008
1'-fluoro-3',7'-dipyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67241930
(5S)-7'-bromo-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 162041932
(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466230

Frequently Asked Questions

What is the IUPAC name of 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 67438609) is 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=NC2(CO1)c1cc(-c3cccnc3F)c(F)cc1Oc1c(F)cc(N3CCOCC3)cc12.
What is the InChIKey of 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is LWYQWLMIJMEFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c25-18-11-20-16(10-15(18)14-2-1-3-29-22(14)27)24(12-33-23(28)30-24)17-8-13(9-19(26)21(17)34-20)31-4-6-32-7-5-31/h1-3,8-11H,4-7,12H2,(H2,28,30).
What are the key properties of 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 468.44 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67438609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).