N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide

C28H27Cl2N5O2 — CID 147562559

About N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide

N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 147562559) has the molecular formula C28H27Cl2N5O2 and a molecular weight of 536.46 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
• PubChem CID: 147562559
• Molecular Formula: C28H27Cl2N5O2
• Molecular Weight: 536.46 g/mol
• Exact Mass: 535.15
• IUPAC Name: N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
• InChI: InChI=1S/C28H27Cl2N5O2/c1-18-5-4-6-23(30)26(18)32-28(36)35-21-13-33(14-22(35)17-37-16-21)15-24-27(19-8-10-20(29)11-9-19)31-25-7-2-3-12-34(24)25/h2-12,21-22H,13-17H2,1H3,(H,32,36)
• InChIKey: FSXXJMHMOVIYCB-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.46
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide (CID 147562559) is N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide is Cc1cccc(Cl)c1NC(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?

The InChIKey is FSXXJMHMOVIYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N5O2/c1-18-5-4-6-23(30)26(18)32-28(36)35-21-13-33(14-22(35)17-37-16-21)15-24-27(19-8-10-20(29)11-9-19)31-25-7-2-3-12-34(24)25/h2-12,21-22H,13-17H2,1H3,(H,32,36).

What are the key properties of N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?

N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 536.46 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 147562559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).