sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide

C83H91BrN12NaO5PS2 — CID 158249163

About sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide

sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide (PubChem CID 158249163) has the molecular formula C83H91BrN12NaO5PS2 and a molecular weight of 1534.72 g/mol. Its IUPAC name is sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide.

Molecular Properties

• Compound Name: sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide
• PubChem CID: 158249163
• Molecular Formula: C83H91BrN12NaO5PS2
• Molecular Weight: 1534.72 g/mol
• Exact Mass: 1532.55
• IUPAC Name: sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide
• SMILES: C=C1CCCC1.CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.Cn1cc(-c2c[nH]c3ncc(CC4=CCCC4)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(CC4=CCCC4)cc23)cn1.[Na+].[OH-]
• InChI: InChI=1S/C23H22N4O2S.C20H27P.C17H13BrN4O2S.C17H18N4.C6H10.Na.H2O/c1-26-15-19(14-25-26)22-16-27(30(28,29)20-9-3-2-4-10-20)23-21(22)12-18(13-24-23)11-17-7-5-6-8-17;1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-21-10-12(8-20-21)16-11-22(17-15(16)7-13(18)9-19-17)25(23,24)14-5-3-2-4-6-14;1-21-11-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)6-12-4-2-3-5-12;1-6-4-2-3-5-6;;/h2-4,7,9-10,12-16H,5-6,8,11H2,1H3;7-15H,1-6H3;2-11H,1H3;4,7-11H,2-3,5-6H2,1H3,(H,18,19);1-5H2;;1H2/q;;;;;+1;/p-1
• InChIKey: GGMPIILVCVJIBM-UHFFFAOYSA-M
• XLogP: 16.38
• TPSA: 216.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.72
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide?

The IUPAC name of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide (CID 158249163) is sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide.

What is the SMILES notation for sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide?

The canonical SMILES for sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide is C=C1CCCC1.CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.Cn1cc(-c2c[nH]c3ncc(CC4=CCCC4)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(CC4=CCCC4)cc23)cn1.[Na+].[OH-].

What is the InChIKey of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide?

The InChIKey is GGMPIILVCVJIBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22N4O2S.C20H27P.C17H13BrN4O2S.C17H18N4.C6H10.Na.H2O/c1-26-15-19(14-25-26)22-16-27(30(28,29)20-9-3-2-4-10-20)23-21(22)12-18(13-24-23)11-17-7-5-6-8-17;1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-21-10-12(8-20-21)16-11-22(17-15(16)7-13(18)9-19-17)25(23,24)14-5-3-2-4-6-14;1-21-11-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)6-12-4-2-3-5-12;1-6-4-2-3-5-6;;/h2-4,7,9-10,12-16H,5-6,8,11H2,1H3;7-15H,1-6H3;2-11H,1H3;4,7-11H,2-3,5-6H2,1H3,(H,18,19);1-5H2;;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide?

sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide has a molecular weight of 1534.72 g/mol, XLogP of 16.38, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;ditert-butyl-(2-phenylphenyl)phosphane;methylidenecyclopentane;hydroxide is sourced from PubChem (CID 158249163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).