5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium

C42H39BrN9O5SY- — CID 158133405

About 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium

5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium (PubChem CID 158133405) has the molecular formula C42H39BrN9O5SY- and a molecular weight of 950.71 g/mol. Its IUPAC name is 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium.

Molecular Properties

• Compound Name: 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium
• PubChem CID: 158133405
• Molecular Formula: C42H39BrN9O5SY-
• Molecular Weight: 950.71 g/mol
• Exact Mass: 949.10
• IUPAC Name: 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium
• SMILES: CS(=O)(=O)n1ccc2cc(Br)cnc21.Cc1[c-]cccc1-c1cnoc1-c1c[nH]c2ncc(C(=O)N3CCCC3)cc12.O=C(c1cnc2[nH]ccc2c1)N1CCCC1.[Y]
• InChI: InChI=1S/C22H19N4O2.C12H13N3O.C8H7BrN2O2S.Y/c1-14-6-2-3-7-16(14)19-13-25-28-20(19)18-12-24-21-17(18)10-15(11-23-21)22(27)26-8-4-5-9-26;16-12(15-5-1-2-6-15)10-7-9-3-4-13-11(9)14-8-10;1-14(12,13)11-3-2-6-4-7(9)5-10-8(6)11;/h2-3,7,10-13H,4-5,8-9H2,1H3,(H,23,24);3-4,7-8H,1-2,5-6H2,(H,13,14);2-5H,1H3;/q-1
• InChIKey: WFOUDXRKRDPSJH-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 175.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.71
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium?

The IUPAC name of 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium (CID 158133405) is 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium.

What is the SMILES notation for 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium?

The canonical SMILES for 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium is CS(=O)(=O)n1ccc2cc(Br)cnc21.Cc1[c-]cccc1-c1cnoc1-c1c[nH]c2ncc(C(=O)N3CCCC3)cc12.O=C(c1cnc2[nH]ccc2c1)N1CCCC1.[Y].

What is the InChIKey of 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium?

The InChIKey is WFOUDXRKRDPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N4O2.C12H13N3O.C8H7BrN2O2S.Y/c1-14-6-2-3-7-16(14)19-13-25-28-20(19)18-12-24-21-17(18)10-15(11-23-21)22(27)26-8-4-5-9-26;16-12(15-5-1-2-6-15)10-7-9-3-4-13-11(9)14-8-10;1-14(12,13)11-3-2-6-4-7(9)5-10-8(6)11;/h2-3,7,10-13H,4-5,8-9H2,1H3,(H,23,24);3-4,7-8H,1-2,5-6H2,(H,13,14);2-5H,1H3;/q-1;;;.

What are the key properties of 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium?

5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium has a molecular weight of 950.71 g/mol, XLogP of 7.63, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-methylsulfonylpyrrolo[2,3-b]pyridine;[3-[4-(2-methylbenzene-3-id-1-yl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;yttrium is sourced from PubChem (CID 158133405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).