3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C40H49ClN12O2 — CID 162088384

About 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 162088384) has the molecular formula C40H49ClN12O2 and a molecular weight of 765.37 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

• Compound Name: 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
• PubChem CID: 162088384
• Molecular Formula: C40H49ClN12O2
• Molecular Weight: 765.37 g/mol
• Exact Mass: 764.38
• IUPAC Name: 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
• SMILES: COc1ccn2c(-c3cncc(Cl)n3)cnc2c1.COc1ccn2c(-c3cncc(N[C@@H]4C5CCN(CC5)[C@@H]4C)n3)cnc2c1.C[C@@H]1[C@H](N)C2CCN1CC2
• InChI: InChI=1S/C20H24N6O.C12H9ClN4O.C8H16N2/c1-13-20(14-3-6-25(13)7-4-14)24-18-12-21-10-16(23-18)17-11-22-19-9-15(27-2)5-8-26(17)19;1-18-8-2-3-17-10(6-15-12(17)4-8)9-5-14-7-11(13)16-9;1-6-8(9)7-2-4-10(6)5-3-7/h5,8-14,20H,3-4,6-7H2,1-2H3,(H,23,24);2-7H,1H3;6-8H,2-5,9H2,1H3/t13-,20+;;6-,8+/m1.1/s1
• InChIKey: ZDGSRMFDEPUVHU-UAACGXSFSA-N
• XLogP: 5.58
• TPSA: 149.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	765.37
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?

The IUPAC name of 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 162088384) is 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

What is the SMILES notation for 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?

The canonical SMILES for 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is COc1ccn2c(-c3cncc(Cl)n3)cnc2c1.COc1ccn2c(-c3cncc(N[C@@H]4C5CCN(CC5)[C@@H]4C)n3)cnc2c1.C[C@@H]1[C@H](N)C2CCN1CC2.

What is the InChIKey of 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?

The InChIKey is ZDGSRMFDEPUVHU-UAACGXSFSA-N. The full InChI is InChI=1S/C20H24N6O.C12H9ClN4O.C8H16N2/c1-13-20(14-3-6-25(13)7-4-14)24-18-12-21-10-16(23-18)17-11-22-19-9-15(27-2)5-8-26(17)19;1-18-8-2-3-17-10(6-15-12(17)4-8)9-5-14-7-11(13)16-9;1-6-8(9)7-2-4-10(6)5-3-7/h5,8-14,20H,3-4,6-7H2,1-2H3,(H,23,24);2-7H,1H3;6-8H,2-5,9H2,1H3/t13-,20+;;6-,8+/m1.1/s1.

What are the key properties of 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?

3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 765.37 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 162088384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).