[6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C23H28ClN5O2 — CID 24816966

About [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 24816966) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
• PubChem CID: 24816966
• Molecular Formula: C23H28ClN5O2
• Molecular Weight: 441.96 g/mol
• Exact Mass: 441.19
• IUPAC Name: [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
• SMILES: Cc1cccnc1CCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn12
• InChI: InChI=1S/C23H28ClN5O2/c1-15-5-4-9-26-19(15)8-10-25-11-20-22(27-21-7-6-18(24)14-29(20)21)23(30)28-12-16(2)31-17(3)13-28/h4-7,9,14,16-17,25H,8,10-13H2,1-3H3/t16-,17+
• InChIKey: RZEMOHIFFBWVMI-CALCHBBNSA-N
• XLogP: 3.27
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.96
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?

The IUPAC name of [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 24816966) is [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

What is the SMILES notation for [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?

The canonical SMILES for [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is Cc1cccnc1CCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn12.

What is the InChIKey of [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?

The InChIKey is RZEMOHIFFBWVMI-CALCHBBNSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-15-5-4-9-26-19(15)8-10-25-11-20-22(27-21-7-6-18(24)14-29(20)21)23(30)28-12-16(2)31-17(3)13-28/h4-7,9,14,16-17,25H,8,10-13H2,1-3H3/t16-,17+.

What are the key properties of [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?

[6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 441.96 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-3-[[2-(3-methyl-2-pyridinyl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 24816966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).