2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid

C37H36Cl2N6O4 — CID 166730754

About 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid

2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 166730754) has the molecular formula C37H36Cl2N6O4 and a molecular weight of 699.64 g/mol. Its IUPAC name is 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
• PubChem CID: 166730754
• Molecular Formula: C37H36Cl2N6O4
• Molecular Weight: 699.64 g/mol
• Exact Mass: 698.22
• IUPAC Name: 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid
• SMILES: Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)C(C)CN(c2cn4cccc(C(=O)O)c4n2)C3=O)cc(C)c1Cl
• InChI: InChI=1S/C37H36Cl2N6O4/c1-19-15-24(16-20(2)32(19)39)49-14-8-10-25-26-11-12-28(38)31(30-22(4)41-42(6)23(30)5)33(26)45-21(3)17-44(36(46)34(25)45)29-18-43-13-7-9-27(37(47)48)35(43)40-29/h7,9,11-13,15-16,18,21H,8,10,14,17H2,1-6H3,(H,47,48)
• InChIKey: OMOQGRVNTUABCQ-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 106.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.64
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

The IUPAC name of 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 166730754) is 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

The canonical SMILES for 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid is Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)C(C)CN(c2cn4cccc(C(=O)O)c4n2)C3=O)cc(C)c1Cl.

What is the InChIKey of 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

The InChIKey is OMOQGRVNTUABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36Cl2N6O4/c1-19-15-24(16-20(2)32(19)39)49-14-8-10-25-26-11-12-28(38)31(30-22(4)41-42(6)23(30)5)33(26)45-21(3)17-44(36(46)34(25)45)29-18-43-13-7-9-27(37(47)48)35(43)40-29/h7,9,11-13,15-16,18,21H,8,10,14,17H2,1-6H3,(H,47,48).

What are the key properties of 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid?

2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 699.64 g/mol, XLogP of 8.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 166730754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).