4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C29H32N6O3 — CID 163479943

IUPAC4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1(c2nc(N3CCOCC3)c3oc4ncc(CN5CC6COC(C6)C5)cc4c3n2)CC=Cc2[nH]ccc21
InChIInChI=1S/C29H32N6O3/c1-29(5-2-3-23-22(29)4-6-30-23)28-32-24-21-12-18(14-34-15-19-11-20(16-34)37-17-19)13-31-27(21)38-25(24)26(33-28)35-7-9-36-10-8-35/h2-4,6,12-13,19-20,30H,5,7-11,14-17H2,1H3
InChIKeyCDRLDQZAUSVLHW-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.88
Rot. Bonds4

About 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 163479943) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID163479943
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC Name4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1(c2nc(N3CCOCC3)c3oc4ncc(CN5CC6COC(C6)C5)cc4c3n2)CC=Cc2[nH]ccc21
InChIInChI=1S/C29H32N6O3/c1-29(5-2-3-23-22(29)4-6-30-23)28-32-24-21-12-18(14-34-15-19-11-20(16-34)37-17-19)13-31-27(21)38-25(24)26(33-28)35-7-9-36-10-8-35/h2-4,6,12-13,19-20,30H,5,7-11,14-17H2,1H3
InChIKeyCDRLDQZAUSVLHW-UHFFFAOYSA-N
XLogP3.88
TPSA92.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 163479943) is 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC1(c2nc(N3CCOCC3)c3oc4ncc(CN5CC6COC(C6)C5)cc4c3n2)CC=Cc2[nH]ccc21.
What is the InChIKey of 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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 CDRLDQZAUSVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-29(5-2-3-23-22(29)4-6-30-23)28-32-24-21-12-18(14-34-15-19-11-20(16-34)37-17-19)13-31-27(21)38-25(24)26(33-28)35-7-9-36-10-8-35/h2-4,6,12-13,19-20,30H,5,7-11,14-17H2,1H3.
What are the key properties of 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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 512.61 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,5-dihydroindol-4-yl)-6-morpholin-4-yl-12-(6-oxa-3-azabicyclo[3.2.1]octan-3-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 163479943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).