2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine

C29H24N4O3S — CID 22477263

IUPAC2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2c(c1)c(-c1cc3c(-c4cccnc4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C
InChIInChI=1S/C29H24N4O3S/c1-19-6-9-22(10-7-19)37(34,35)33-28(26-18-32(2)27-11-8-21(36-3)15-24(26)27)16-25-23(12-14-31-29(25)33)20-5-4-13-30-17-20/h4-18H,1-3H3
InChIKeyMECYNXQHVLSNSN-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.81
Rot. Bonds5

About 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine

2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 22477263) has the molecular formula C29H24N4O3S and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine
PubChem CID22477263
Molecular FormulaC29H24N4O3S
Molecular Weight508.60 g/mol
Exact Mass508.16
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc2c(c1)c(-c1cc3c(-c4cccnc4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C
InChIInChI=1S/C29H24N4O3S/c1-19-6-9-22(10-7-19)37(34,35)33-28(26-18-32(2)27-11-8-21(36-3)15-24(26)27)16-25-23(12-14-31-29(25)33)20-5-4-13-30-17-20/h4-18H,1-3H3
InChIKeyMECYNXQHVLSNSN-UHFFFAOYSA-N
XLogP5.81
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine (CID 22477263) is 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine is COc1ccc2c(c1)c(-c1cc3c(-c4cccnc4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is MECYNXQHVLSNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3S/c1-19-6-9-22(10-7-19)37(34,35)33-28(26-18-32(2)27-11-8-21(36-3)15-24(26)27)16-25-23(12-14-31-29(25)33)20-5-4-13-30-17-20/h4-18H,1-3H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine?
2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 508.60 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).