6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine

C23H17F3N4O3S — CID 58933385

IUPAC6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc2[nH]cc(-c3cc4c(C(F)(F)F)ncnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C23H17F3N4O3S/c1-13-3-6-15(7-4-13)34(31,32)30-20(10-17-21(23(24,25)26)28-12-29-22(17)30)18-11-27-19-8-5-14(33-2)9-16(18)19/h3-12,27H,1-2H3
InChIKeyINKDXSBKKXLIIE-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.15
Rot. Bonds4

About 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine

6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 58933385) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID58933385
Molecular FormulaC23H17F3N4O3S
Molecular Weight486.48 g/mol
Exact Mass486.10
IUPAC Name6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc2[nH]cc(-c3cc4c(C(F)(F)F)ncnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C23H17F3N4O3S/c1-13-3-6-15(7-4-13)34(31,32)30-20(10-17-21(23(24,25)26)28-12-29-22(17)30)18-11-27-19-8-5-14(33-2)9-16(18)19/h3-12,27H,1-2H3
InChIKeyINKDXSBKKXLIIE-UHFFFAOYSA-N
XLogP5.15
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine 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 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine (CID 58933385) is 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine is COc1ccc2[nH]cc(-c3cc4c(C(F)(F)F)ncnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is INKDXSBKKXLIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c1-13-3-6-15(7-4-13)34(31,32)30-20(10-17-21(23(24,25)26)28-12-29-22(17)30)18-11-27-19-8-5-14(33-2)9-16(18)19/h3-12,27H,1-2H3.
What are the key properties of 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 486.48 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58933385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).