7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine

C40H34Br2Cl2IN13O4S2 — CID 157103891

About 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine

7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 157103891) has the molecular formula C40H34Br2Cl2IN13O4S2 and a molecular weight of 1182.55 g/mol. Its IUPAC name is 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine
• PubChem CID: 157103891
• Molecular Formula: C40H34Br2Cl2IN13O4S2
• Molecular Weight: 1182.55 g/mol
• Exact Mass: 1178.91
• IUPAC Name: 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine
• SMILES: Brc1ccn2c(I)cnc2c1.CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4ccncc4)ccn23)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl
• InChI: InChI=1S/C19H17ClN6O2S.C14H13BrClN5O2S.C7H4BrIN2/c1-25(2)29(27,28)24-16-9-15(11-23-19(16)20)17-12-22-18-10-14(5-8-26(17)18)13-3-6-21-7-4-13;1-20(2)24(22,23)19-11-5-9(7-18-14(11)16)12-8-17-13-6-10(15)3-4-21(12)13;8-5-1-2-11-6(9)4-10-7(11)3-5/h3-12,24H,1-2H3;3-8,19H,1-2H3;1-4H
• InChIKey: AGBRCCBUSONXGI-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 189.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1182.55
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine?

The IUPAC name of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine (CID 157103891) is 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine.

What is the SMILES notation for 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine?

The canonical SMILES for 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine is Brc1ccn2c(I)cnc2c1.CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4ccncc4)ccn23)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.

What is the InChIKey of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine?

The InChIKey is AGBRCCBUSONXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2S.C14H13BrClN5O2S.C7H4BrIN2/c1-25(2)29(27,28)24-16-9-15(11-23-19(16)20)17-12-22-18-10-14(5-8-26(17)18)13-3-6-21-7-4-13;1-20(2)24(22,23)19-11-5-9(7-18-14(11)16)12-8-17-13-6-10(15)3-4-21(12)13;8-5-1-2-11-6(9)4-10-7(11)3-5/h3-12,24H,1-2H3;3-8,19H,1-2H3;1-4H.

What are the key properties of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine?

7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 1182.55 g/mol, XLogP of 9.06, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 157103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).