dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate

C52H43Cs2N11O5S — CID 158112203

About dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate

dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate (PubChem CID 158112203) has the molecular formula C52H43Cs2N11O5S and a molecular weight of 1199.86 g/mol. Its IUPAC name is dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate.

Molecular Properties

• Compound Name: dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate
• PubChem CID: 158112203
• Molecular Formula: C52H43Cs2N11O5S
• Molecular Weight: 1199.86 g/mol
• Exact Mass: 1199.13
• IUPAC Name: dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate
• SMILES: C.C1=C(c2c[nH]c3ncccc23)c2ccncc2C1.Cn1cc(-c2c[nH]c3ncccc23)c2ccncc21.O=CO[O-].O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncccc23)c2ccncc21.[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C20H14N4O2S.C15H12N4.C15H11N3.CH2O3.CH4.2Cs.H/c25-27(26,14-5-2-1-3-6-14)24-13-18(15-8-10-21-12-19(15)24)17-11-23-20-16(17)7-4-9-22-20;1-19-9-13(10-4-6-16-8-14(10)19)12-7-18-15-11(12)3-2-5-17-15;1-2-13-14(9-18-15(13)17-6-1)12-4-3-10-8-16-7-5-11(10)12;2-1-4-3;;;;/h1-13H,(H,22,23);2-9H,1H3,(H,17,18);1-2,4-9H,3H2,(H,17,18);1,3H;1H4;;;/q;;;;;2*+1;-1/p-1
• InChIKey: OUSKBNXWDXJAPC-UHFFFAOYSA-M
• XLogP: 3.07
• TPSA: 218.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.86
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate?

The IUPAC name of dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate (CID 158112203) is dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate.

What is the SMILES notation for dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate?

The canonical SMILES for dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate is C.C1=C(c2c[nH]c3ncccc23)c2ccncc2C1.Cn1cc(-c2c[nH]c3ncccc23)c2ccncc21.O=CO[O-].O=S(=O)(c1ccccc1)n1cc(-c2c[nH]c3ncccc23)c2ccncc21.[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate?

The InChIKey is OUSKBNXWDXJAPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14N4O2S.C15H12N4.C15H11N3.CH2O3.CH4.2Cs.H/c25-27(26,14-5-2-1-3-6-14)24-13-18(15-8-10-21-12-19(15)24)17-11-23-20-16(17)7-4-9-22-20;1-19-9-13(10-4-6-16-8-14(10)19)12-7-18-15-11(12)3-2-5-17-15;1-2-13-14(9-18-15(13)17-6-1)12-4-3-10-8-16-7-5-11(10)12;2-1-4-3;;;;/h1-13H,(H,22,23);2-9H,1H3,(H,17,18);1-2,4-9H,3H2,(H,17,18);1,3H;1H4;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate?

dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate has a molecular weight of 1199.86 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate is sourced from PubChem (CID 158112203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).