6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine

C28H27Br2ClF2N10 — CID 157490608

About 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine

6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine (PubChem CID 157490608) has the molecular formula C28H27Br2ClF2N10 and a molecular weight of 736.85 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine.

Molecular Properties

• Compound Name: 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine
• PubChem CID: 157490608
• Molecular Formula: C28H27Br2ClF2N10
• Molecular Weight: 736.85 g/mol
• Exact Mass: 734.04
• IUPAC Name: 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine
• SMILES: CC(C)n1cnc2cc(Br)nc(Cl)c21.CC(C)n1cnc2cc(Br)nc(Nc3ccncc3F)c21.Nc1ccncc1F
• InChI: InChI=1S/C14H13BrFN5.C9H9BrClN3.C5H5FN2/c1-8(2)21-7-18-11-5-12(15)20-14(13(11)21)19-10-3-4-17-6-9(10)16;1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14;6-4-3-8-2-1-5(4)7/h3-8H,1-2H3,(H,17,19,20);3-5H,1-2H3;1-3H,(H2,7,8)
• InChIKey: BXFOOLVLNWIMRN-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 125.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.85
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine?

The IUPAC name of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine (CID 157490608) is 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine.

What is the SMILES notation for 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine?

The canonical SMILES for 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine is CC(C)n1cnc2cc(Br)nc(Cl)c21.CC(C)n1cnc2cc(Br)nc(Nc3ccncc3F)c21.Nc1ccncc1F.

What is the InChIKey of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine?

The InChIKey is BXFOOLVLNWIMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN5.C9H9BrClN3.C5H5FN2/c1-8(2)21-7-18-11-5-12(15)20-14(13(11)21)19-10-3-4-17-6-9(10)16;1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14;6-4-3-8-2-1-5(4)7/h3-8H,1-2H3,(H,17,19,20);3-5H,1-2H3;1-3H,(H2,7,8).

What are the key properties of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine?

6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine has a molecular weight of 736.85 g/mol, XLogP of 8.28, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;3-fluoropyridin-4-amine is sourced from PubChem (CID 157490608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).