1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde

C24H19N3O3S — CID 22477632

IUPAC1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(C=O)cc34)cc3cccnc32)cc1
InChIInChI=1S/C24H19N3O3S/c1-16-5-8-19(9-6-16)31(29,30)27-23(13-18-4-3-11-25-24(18)27)21-14-26(2)22-10-7-17(15-28)12-20(21)22/h3-15H,1-2H3
InChIKeyYRJYOGCBIDQZCS-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.55
Rot. Bonds4

About 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde

1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde (PubChem CID 22477632) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde
PubChem CID22477632
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(C=O)cc34)cc3cccnc32)cc1
InChIInChI=1S/C24H19N3O3S/c1-16-5-8-19(9-6-16)31(29,30)27-23(13-18-4-3-11-25-24(18)27)21-14-26(2)22-10-7-17(15-28)12-20(21)22/h3-15H,1-2H3
InChIKeyYRJYOGCBIDQZCS-UHFFFAOYSA-N
XLogP4.55
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde?
The IUPAC name of 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde (CID 22477632) is 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde.
What is the SMILES notation for 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde?
The canonical SMILES for 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde is Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(C=O)cc34)cc3cccnc32)cc1.
What is the InChIKey of 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde?
The InChIKey is YRJYOGCBIDQZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-16-5-8-19(9-6-16)31(29,30)27-23(13-18-4-3-11-25-24(18)27)21-14-26(2)22-10-7-17(15-28)12-20(21)22/h3-15H,1-2H3.
What are the key properties of 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde?
1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde has a molecular weight of 429.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-5-carbaldehyde is sourced from PubChem (CID 22477632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).