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

C22H24N4O5S — CID 123301499

IUPAC4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-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)CC4)n2)OCC2COCCN32)c2cc[nH]c2c1
InChIInChI=1S/C22H24N4O5S/c1-29-14-9-16(15-3-6-23-17(15)10-14)20-24-19(22(4-5-22)32(2,27)28)18-21(25-20)26-7-8-30-11-13(26)12-31-18/h3,6,9-10,13,23H,4-5,7-8,11-12H2,1-2H3
InChIKeyCNBCCCICEJUEKE-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.26
Rot. Bonds4

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

4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (PubChem CID 123301499) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
PubChem CID123301499
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-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)CC4)n2)OCC2COCCN32)c2cc[nH]c2c1
InChIInChI=1S/C22H24N4O5S/c1-29-14-9-16(15-3-6-23-17(15)10-14)20-24-19(22(4-5-22)32(2,27)28)18-21(25-20)26-7-8-30-11-13(26)12-31-18/h3,6,9-10,13,23H,4-5,7-8,11-12H2,1-2H3
InChIKeyCNBCCCICEJUEKE-UHFFFAOYSA-N
XLogP2.26
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-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

Related Compounds

6-Methoxy-4-{4-[1-(methylsulfonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl}-1H-indole
CID 46244255
(3R)-4-[8-(6-methoxy-1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 71519684
(10S)-4-(1H-indol-4-yl)-6-(4-methylsulfonylpiperidin-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86267352
(10S)-4-(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 86267354
(10R)-4-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86267769
2-[(10S)-4-(6-methoxy-1H-indol-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]propan-2-ol
CID 86267771
4-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86268384
6-(2-cyclopropylsulfonylpropan-2-yl)-4-(1H-indol-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86268385
4-(1H-indol-4-yl)-6-(trifluoromethylsulfonylmethyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86268584
4-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86268586
4-(6-methoxy-1H-indol-4-yl)-6-(4-methylsulfonyloxan-4-yl)-8,13-dioxa-1,3,5-triazatricyclo[9.4.0.02,7]pentadeca-2,4,6-triene
CID 86269001
2-[4-(1H-indol-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-6-yl]-2-methylthiolane 1,1-dioxide
CID 86269204

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The IUPAC name of 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (CID 123301499) is 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-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)CC4)n2)OCC2COCCN32)c2cc[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The InChIKey is CNBCCCICEJUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-29-14-9-16(15-3-6-23-17(15)10-14)20-24-19(22(4-5-22)32(2,27)28)18-21(25-20)26-7-8-30-11-13(26)12-31-18/h3,6,9-10,13,23H,4-5,7-8,11-12H2,1-2H3.
What are the key properties of 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene has a molecular weight of 456.52 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 123301499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).