11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

C25H21N5O3S — CID 58382108

IUPAC11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCOc1ccc2[nH]cc(-c3cc4c5c(cnc4n3S(=O)(=O)c3ccc(C)cc3)cnn5C)c2c1
InChIInChI=1S/C25H21N5O3S/c1-15-4-7-18(8-5-15)34(31,32)30-23(21-14-26-22-9-6-17(33-3)10-19(21)22)11-20-24-16(12-27-25(20)30)13-28-29(24)2/h4-14,26H,1-3H3
InChIKeyJYIXHXQZLGCDFC-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.63
Rot. Bonds4

About 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (PubChem CID 58382108) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.

Molecular Properties

Compound Name11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
PubChem CID58382108
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC Name11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCOc1ccc2[nH]cc(-c3cc4c5c(cnc4n3S(=O)(=O)c3ccc(C)cc3)cnn5C)c2c1
InChIInChI=1S/C25H21N5O3S/c1-15-4-7-18(8-5-15)34(31,32)30-23(21-14-26-22-9-6-17(33-3)10-19(21)22)11-20-24-16(12-27-25(20)30)13-28-29(24)2/h4-14,26H,1-3H3
InChIKeyJYIXHXQZLGCDFC-UHFFFAOYSA-N
XLogP4.63
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene 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 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The IUPAC name of 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (CID 58382108) is 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.
What is the SMILES notation for 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The canonical SMILES for 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is COc1ccc2[nH]cc(-c3cc4c5c(cnc4n3S(=O)(=O)c3ccc(C)cc3)cnn5C)c2c1.
What is the InChIKey of 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The InChIKey is JYIXHXQZLGCDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-15-4-7-18(8-5-15)34(31,32)30-23(21-14-26-22-9-6-17(33-3)10-19(21)22)11-20-24-16(12-27-25(20)30)13-28-29(24)2/h4-14,26H,1-3H3.
What are the key properties of 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene has a molecular weight of 471.54 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-methoxy-1H-indol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is sourced from PubChem (CID 58382108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).