6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine

C35H38Br2ClN9 — CID 157366990

About 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine

6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 157366990) has the molecular formula C35H38Br2ClN9 and a molecular weight of 780.01 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

• Compound Name: 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine
• PubChem CID: 157366990
• Molecular Formula: C35H38Br2ClN9
• Molecular Weight: 780.01 g/mol
• Exact Mass: 777.13
• IUPAC Name: 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine
• SMILES: Brc1ccc2nc(Cc3cc(CN4CCCC4)ccn3)cn2c1.Clc1cc(CN2CCCC2)ccn1.Nc1cn2cc(Br)ccc2n1
• InChI: InChI=1S/C18H19BrN4.C10H13ClN2.C7H6BrN3/c19-15-3-4-18-21-17(13-23(18)12-15)10-16-9-14(5-6-20-16)11-22-7-1-2-8-22;11-10-7-9(3-4-12-10)8-13-5-1-2-6-13;8-5-1-2-7-10-6(9)4-11(7)3-5/h3-6,9,12-13H,1-2,7-8,10-11H2;3-4,7H,1-2,5-6,8H2;1-4H,9H2
• InChIKey: BJHNWZAABWILHJ-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 92.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.01
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine?

The IUPAC name of 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine (CID 157366990) is 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine.

What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine?

The canonical SMILES for 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine is Brc1ccc2nc(Cc3cc(CN4CCCC4)ccn3)cn2c1.Clc1cc(CN2CCCC2)ccn1.Nc1cn2cc(Br)ccc2n1.

What is the InChIKey of 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine?

The InChIKey is BJHNWZAABWILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4.C10H13ClN2.C7H6BrN3/c19-15-3-4-18-21-17(13-23(18)12-15)10-16-9-14(5-6-20-16)11-22-7-1-2-8-22;11-10-7-9(3-4-12-10)8-13-5-1-2-6-13;8-5-1-2-7-10-6(9)4-11(7)3-5/h3-6,9,12-13H,1-2,7-8,10-11H2;3-4,7H,1-2,5-6,8H2;1-4H,9H2.

What are the key properties of 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine?

6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 780.01 g/mol, XLogP of 7.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 157366990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).