4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C25H23FN6O3 — CID 126621940

IUPAC4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc3ncc(N4CCOCC4)cc3c2n1
InChIInChI=1S/C25H23FN6O3/c26-18-1-2-19-16(3-4-27-19)20(18)23-29-21-17-13-15(31-5-9-33-10-6-31)14-28-25(17)35-22(21)24(30-23)32-7-11-34-12-8-32/h1-4,13-14,27H,5-12H2
InChIKeyLWECVIVASKXFPS-UHFFFAOYSA-N
MW474.50 g/mol
LogP3.73
Rot. Bonds3

About 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 126621940) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID126621940
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc3ncc(N4CCOCC4)cc3c2n1
InChIInChI=1S/C25H23FN6O3/c26-18-1-2-19-16(3-4-27-19)20(18)23-29-21-17-13-15(31-5-9-33-10-6-31)14-28-25(17)35-22(21)24(30-23)32-7-11-34-12-8-32/h1-4,13-14,27H,5-12H2
InChIKeyLWECVIVASKXFPS-UHFFFAOYSA-N
XLogP3.73
TPSA92.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 126621940) is 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc3ncc(N4CCOCC4)cc3c2n1.
What is the InChIKey of 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is LWECVIVASKXFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c26-18-1-2-19-16(3-4-27-19)20(18)23-29-21-17-13-15(31-5-9-33-10-6-31)14-28-25(17)35-22(21)24(30-23)32-7-11-34-12-8-32/h1-4,13-14,27H,5-12H2.
What are the key properties of 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 474.50 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 126621940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).