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

C26H26N6O3 — CID 50992385

IUPAC4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCOCC5)cc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C26H26N6O3/c1-2-19(18-4-5-27-21(18)3-1)24-29-22-20-14-17(16-31-6-10-33-11-7-31)15-28-26(20)35-23(22)25(30-24)32-8-12-34-13-9-32/h1-5,14-15,27H,6-13,16H2
InChIKeyFQDZEXAWGGTCSJ-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.59
Rot. Bonds4

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

4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 50992385) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID50992385
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCOCC5)cc4c3n2)c2cc[nH]c2c1
InChIInChI=1S/C26H26N6O3/c1-2-19(18-4-5-27-21(18)3-1)24-29-22-20-14-17(16-31-6-10-33-11-7-31)15-28-26(20)35-23(22)25(30-24)32-8-12-34-13-9-32/h1-5,14-15,27H,6-13,16H2
InChIKeyFQDZEXAWGGTCSJ-UHFFFAOYSA-N
XLogP3.59
TPSA92.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 50992385) is 4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc(-c2nc(N3CCOCC3)c3oc4ncc(CN5CCOCC5)cc4c3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FQDZEXAWGGTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-2-19(18-4-5-27-21(18)3-1)24-29-22-20-14-17(16-31-6-10-33-11-7-31)15-28-26(20)35-23(22)25(30-24)32-8-12-34-13-9-32/h1-5,14-15,27H,6-13,16H2.
What are the key properties of 4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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 470.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-6-morpholin-4-yl-12-(morpholin-4-ylmethyl)-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 50992385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).