1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine

C24H18N6O2S — CID 59053713

IUPAC1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cn(S(=O)(=O)c5ccccc5)c5cnccc45)c3c2)cn1
InChIInChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)
InChIKeyWGLOAYNMZIWPCF-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.22
Rot. Bonds4

About 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine

1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine (PubChem CID 59053713) has the molecular formula C24H18N6O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine
PubChem CID59053713
Molecular FormulaC24H18N6O2S
Molecular Weight454.52 g/mol
Exact Mass454.12
IUPAC Name1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cn(S(=O)(=O)c5ccccc5)c5cnccc45)c3c2)cn1
InChIInChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)
InChIKeyWGLOAYNMZIWPCF-UHFFFAOYSA-N
XLogP4.22
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine 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 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine (CID 59053713) is 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine is Cn1cc(-c2cnc3[nH]cc(-c4cn(S(=O)(=O)c5ccccc5)c5cnccc45)c3c2)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine?
The InChIKey is WGLOAYNMZIWPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27).
What are the key properties of 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine?
1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine has a molecular weight of 454.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 59053713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).