6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

C29H24BrN7O4 — CID 69203272

About 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 69203272) has the molecular formula C29H24BrN7O4 and a molecular weight of 614.46 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 69203272
• Molecular Formula: C29H24BrN7O4
• Molecular Weight: 614.46 g/mol
• Exact Mass: 613.11
• IUPAC Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc2c(-c3c(-c4ccccn4)nn4c3CCC4)cccn12.O=C(O)c1cnc2ccc(Br)cn12
• InChI: InChI=1S/C21H19N5O2.C8H5BrN2O2/c1-2-28-21(27)17-13-23-20-14(7-5-11-25(17)20)18-16-9-6-12-26(16)24-19(18)15-8-3-4-10-22-15;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3;1-4H,(H,12,13)
• InChIKey: JJJYXNDMDFGHES-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 128.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.46
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate (CID 69203272) is 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(-c3c(-c4ccccn4)nn4c3CCC4)cccn12.O=C(O)c1cnc2ccc(Br)cn12.

What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is JJJYXNDMDFGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.C8H5BrN2O2/c1-2-28-21(27)17-13-23-20-14(7-5-11-25(17)20)18-16-9-6-12-26(16)24-19(18)15-8-3-4-10-22-15;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3;1-4H,(H,12,13).

What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate?

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 614.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 69203272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).