(10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene

C23H26N4O5S — CID 86270198

IUPAC(10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
SMILESCOc1cc(-c2nc3c(c(C4(S(C)(=O)=O)CCC4)n2)OC[C@@H]2COCCN32)c2cc[nH]c2c1
InChIInChI=1S/C23H26N4O5S/c1-30-15-10-17(16-4-7-24-18(16)11-15)21-25-20(23(5-3-6-23)33(2,28)29)19-22(26-21)27-8-9-31-12-14(27)13-32-19/h4,7,10-11,14,24H,3,5-6,8-9,12-13H2,1-2H3/t14-/m0/s1
InChIKeyLHRIYJCJTRNFGT-AWEZNQCLSA-N
MW470.55 g/mol
LogP2.65
Rot. Bonds4

About (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene

(10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (PubChem CID 86270198) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name(10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
PubChem CID86270198
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name(10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
SMILESCOc1cc(-c2nc3c(c(C4(S(C)(=O)=O)CCC4)n2)OC[C@@H]2COCCN32)c2cc[nH]c2c1
InChIInChI=1S/C23H26N4O5S/c1-30-15-10-17(16-4-7-24-18(16)11-15)21-25-20(23(5-3-6-23)33(2,28)29)19-22(26-21)27-8-9-31-12-14(27)13-32-19/h4,7,10-11,14,24H,3,5-6,8-9,12-13H2,1-2H3/t14-/m0/s1
InChIKeyLHRIYJCJTRNFGT-AWEZNQCLSA-N
XLogP2.65
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene 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 (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The IUPAC name of (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (CID 86270198) is (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is COc1cc(-c2nc3c(c(C4(S(C)(=O)=O)CCC4)n2)OC[C@@H]2COCCN32)c2cc[nH]c2c1.
What is the InChIKey of (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The InChIKey is LHRIYJCJTRNFGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-30-15-10-17(16-4-7-24-18(16)11-15)21-25-20(23(5-3-6-23)33(2,28)29)19-22(26-21)27-8-9-31-12-14(27)13-32-19/h4,7,10-11,14,24H,3,5-6,8-9,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
(10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene has a molecular weight of 470.55 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 86270198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).