43K

(5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine

Created:2015-01-26
Last modified:  2015-02-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count1
Bond Count53
Aromatic Bond Count24
2D diagram of 43K

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
Systematic Name (OpenEye OEToolkits)(4S)-7'-(2-fluoranylpyridin-3-yl)-3'-(2-fluoranylpyridin-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
FormulaC24 H15 F2 N5 O2
Molecular Weight443.405
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1nccc(c1)c6ncc5Oc3ccc(c2cccnc2F)cc3C4(N=C(OC4)N)c5c6
SMILESCACTVS3.385NC1=N[C]2(CO1)c3cc(ccc3Oc4cnc(cc24)c5ccnc(F)c5)c6cccnc6F
SMILESOpenEye OEToolkits1.9.2c1cc(c(nc1)F)c2ccc3c(c2)C4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F
Canonical SMILESCACTVS3.385 NC1=N[C@@]2(CO1)c3cc(ccc3Oc4cnc(cc24)c5ccnc(F)c5)c6cccnc6F
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F
InChIInChI1.03 InChI=1S/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
InChIKeyInChI1.03 LEFDLEYZSDTVMO-DEOSSOPVSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3394057
PubChem 58466119
ChEMBL CHEMBL3394057