4-(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

C24H28N4O5S — CID 123576276

IUPAC4-(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
SMILESCS(=O)(=O)C1(c2nc(-c3cccc4[nH]ccc34)nc3c2OCCC2COCCN32)CCOCC1
InChIInChI=1S/C24H28N4O5S/c1-34(29,30)24(7-12-31-13-8-24)21-20-23(28-10-14-32-15-16(28)6-11-33-20)27-22(26-21)18-3-2-4-19-17(18)5-9-25-19/h2-5,9,16,25H,6-8,10-15H2,1H3
InChIKeyWZPJEEVKCVUDEA-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.66
Rot. Bonds3

About 4-(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

4-(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 (PubChem CID 123576276) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-(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.

Molecular Properties

Compound Name4-(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
PubChem CID123576276
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name4-(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
SMILESCS(=O)(=O)C1(c2nc(-c3cccc4[nH]ccc34)nc3c2OCCC2COCCN32)CCOCC1
InChIInChI=1S/C24H28N4O5S/c1-34(29,30)24(7-12-31-13-8-24)21-20-23(28-10-14-32-15-16(28)6-11-33-20)27-22(26-21)18-3-2-4-19-17(18)5-9-25-19/h2-5,9,16,25H,6-8,10-15H2,1H3
InChIKeyWZPJEEVKCVUDEA-UHFFFAOYSA-N
XLogP2.66
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(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 with MolForge

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Related Compounds

(3R)-4-(2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl)-3-methylmorpholine
CID 46244454
4-(4-(3-methylmorpholin-4-yl)-6-(1-(methylsulfonyl)cyclopropyl)pyrimidin-2-yl)-1H-indole
CID 75184787
4-{4-[1-(Methylsulfonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl}-1H-indole
CID 46244173
4-{4-[4-(Methylsulfonyl)piperidin-4-yl]-6-morpholin-4-ylpyrimidin-2-yl}-1H-indole
CID 46244259
4-[2-(1H-indol-4-yl)-6-(4-methylsulfonyloxan-4-yl)pyrimidin-4-yl]morpholine
CID 46244260
(3S)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
CID 46244453
4-{4-[1-(Methylsulfonyl)cyclopropyl]-6-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)pyrimidin-2-yl}-1H-indole
CID 46244883
4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]-1H-indole
CID 58137106
4-[2-(1H-indol-4-yl)-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
CID 71584055
4-[2-(1H-indol-4-yl)-6-(1-methyl-4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 71584056
4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine
CID 71584161
(3R)-3-ethyl-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 71584421

Frequently Asked Questions

What is the IUPAC name of 4-(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?
The IUPAC name of 4-(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 123576276) is 4-(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.
What is the SMILES notation for 4-(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?
The canonical SMILES for 4-(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 is CS(=O)(=O)C1(c2nc(-c3cccc4[nH]ccc34)nc3c2OCCC2COCCN32)CCOCC1.
What is the InChIKey of 4-(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?
The InChIKey is WZPJEEVKCVUDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-34(29,30)24(7-12-31-13-8-24)21-20-23(28-10-14-32-15-16(28)6-11-33-20)27-22(26-21)18-3-2-4-19-17(18)5-9-25-19/h2-5,9,16,25H,6-8,10-15H2,1H3.
What are the key properties of 4-(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?
4-(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 has a molecular weight of 484.58 g/mol, XLogP of 2.66, 3 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-(4-methylsulfonyloxan-4-yl)-8,13-dioxa-1,3,5-triazatricyclo[9.4.0.02,7]pentadeca-2,4,6-triene is sourced from PubChem (CID 123576276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).