[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone

C30H31ClN4O2 — CID 147613404

About [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone

[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone (PubChem CID 147613404) has the molecular formula C30H31ClN4O2 and a molecular weight of 515.06 g/mol. Its IUPAC name is [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone.

Molecular Properties

• Compound Name: [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone
• PubChem CID: 147613404
• Molecular Formula: C30H31ClN4O2
• Molecular Weight: 515.06 g/mol
• Exact Mass: 514.21
• IUPAC Name: [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone
• SMILES: CC(C)c1ccccc1C(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
• InChI: InChI=1S/C30H31ClN4O2/c1-20(2)25-7-3-4-8-26(25)30(36)35-23-15-33(16-24(35)19-37-18-23)17-27-29(21-10-12-22(31)13-11-21)32-28-9-5-6-14-34(27)28/h3-14,20,23-24H,15-19H2,1-2H3
• InChIKey: GCLBMUAPSGDJME-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 50.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.06
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone?

The IUPAC name of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone (CID 147613404) is [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone.

What is the SMILES notation for [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone?

The canonical SMILES for [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2.

What is the InChIKey of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone?

The InChIKey is GCLBMUAPSGDJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O2/c1-20(2)25-7-3-4-8-26(25)30(36)35-23-15-33(16-24(35)19-37-18-23)17-27-29(21-10-12-22(31)13-11-21)32-28-9-5-6-14-34(27)28/h3-14,20,23-24H,15-19H2,1-2H3.

What are the key properties of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone?

[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone has a molecular weight of 515.06 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 147613404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).