[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone

C28H28ClN5O2 — CID 146602426

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 146602426) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone
• PubChem CID: 146602426
• Molecular Formula: C28H28ClN5O2
• Molecular Weight: 502.02 g/mol
• Exact Mass: 501.19
• IUPAC Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone
• SMILES: COc1cccc(C(=O)N2CC3CCC2CN(Cc2c(-c4ccc(Cl)cc4)nc4ccccn24)C3)n1
• InChI: InChI=1S/C28H28ClN5O2/c1-36-26-7-4-5-23(30-26)28(35)34-16-19-8-13-22(34)17-32(15-19)18-24-27(20-9-11-21(29)12-10-20)31-25-6-2-3-14-33(24)25/h2-7,9-12,14,19,22H,8,13,15-18H2,1H3
• InChIKey: KPJAEPIZZOJZNP-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 62.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.02
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone?

The IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone (CID 146602426) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone.

What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone?

The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone is COc1cccc(C(=O)N2CC3CCC2CN(Cc2c(-c4ccc(Cl)cc4)nc4ccccn24)C3)n1.

What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone?

The InChIKey is KPJAEPIZZOJZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c1-36-26-7-4-5-23(30-26)28(35)34-16-19-8-13-22(34)17-32(15-19)18-24-27(20-9-11-21(29)12-10-20)31-25-6-2-3-14-33(24)25/h2-7,9-12,14,19,22H,8,13,15-18H2,1H3.

What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone?

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 502.02 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 146602426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).