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

C26H28N6O4S — CID 126620948

IUPACN-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C26H28N6O4S/c1-31(10-13-37(2,33)34)16-17-14-20-22-23(36-26(20)28-15-17)25(32-8-11-35-12-9-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3
InChIKeyCFGOAPYIRDOUKL-UHFFFAOYSA-N
MW520.62 g/mol
LogP3.23
Rot. Bonds7

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

N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine (PubChem CID 126620948) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine
PubChem CID126620948
Molecular FormulaC26H28N6O4S
Molecular Weight520.62 g/mol
Exact Mass520.19
IUPAC NameN-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C26H28N6O4S/c1-31(10-13-37(2,33)34)16-17-14-20-22-23(36-26(20)28-15-17)25(32-8-11-35-12-9-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3
InChIKeyCFGOAPYIRDOUKL-UHFFFAOYSA-N
XLogP3.23
TPSA117.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine 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 N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine (CID 126620948) is N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine is CN(CCS(C)(=O)=O)Cc1cnc2oc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.
What is the InChIKey of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
The InChIKey is CFGOAPYIRDOUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S/c1-31(10-13-37(2,33)34)16-17-14-20-22-23(36-26(20)28-15-17)25(32-8-11-35-12-9-32)30-24(29-22)19-4-3-5-21-18(19)6-7-27-21/h3-7,14-15,27H,8-13,16H2,1-2H3.
What are the key properties of N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine has a molecular weight of 520.62 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 126620948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).