1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine

C19H22N4O2S — CID 172434569

IUPAC1-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
SMILESCC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=C(C=C3)N4CCN(CC4)C
InChIInChI=1S/C19H22N4O2S/c1-15-3-6-17(7-4-15)26(24,25)23-10-9-16-5-8-18(20-19(16)23)22-13-11-21(2)12-14-22/h3-10H,11-14H2,1-2H3
InChIKeyIUBIIIZWEHYIKK-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine

1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine (PubChem CID 172434569) has the molecular formula C19H22N4O2S and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
PubChem CID172434569
Molecular FormulaC19H22N4O2S
Molecular Weight370.50 g/mol
Exact Mass370.15
IUPAC Name1-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
SMILESCC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=C(C=C3)N4CCN(CC4)C
InChIInChI=1S/C19H22N4O2S/c1-15-3-6-17(7-4-15)26(24,25)23-10-9-16-5-8-18(20-19(16)23)22-13-11-21(2)12-14-22/h3-10H,11-14H2,1-2H3
InChIKeyIUBIIIZWEHYIKK-UHFFFAOYSA-N
XLogP3.10
TPSA66.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity577

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine (CID 172434569) is 1-(4-methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine is CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=C(C=C3)N4CCN(CC4)C.
What is the InChIKey of 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is IUBIIIZWEHYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-15-3-6-17(7-4-15)26(24,25)23-10-9-16-5-8-18(20-19(16)23)22-13-11-21(2)12-14-22/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine?
1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 370.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Methylphenyl)sulfonyl-6-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172434569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).