3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

C89H90Br2N18O12 — CID 158520936

About 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid

3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 158520936) has the molecular formula C89H90Br2N18O12 and a molecular weight of 1763.62 g/mol. Its IUPAC name is 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 158520936
• Molecular Formula: C89H90Br2N18O12
• Molecular Weight: 1763.62 g/mol
• Exact Mass: 1760.54
• IUPAC Name: 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: CCOC(=O)C(Br)C(=O)c1ccccc1.CCOC(=O)c1c(-c2ccccc2)nc2c(N)cccn12.CCOC(=O)c1c(-c2ccccc2)nc2c(Nc3ccc(N4CCOCC4)nc3)cccn12.Nc1ccc(N2CCOCC2)nc1.Nc1ncccc1Br.O=C(O)c1c(-c2ccccc2)nc2c(Nc3ccc(N4CCOCC4)nc3)cccn12
• InChI: InChI=1S/C25H25N5O3.C23H21N5O3.C16H15N3O2.C11H11BrO3.C9H13N3O.C5H5BrN2/c1-2-33-25(31)23-22(18-7-4-3-5-8-18)28-24-20(9-6-12-30(23)24)27-19-10-11-21(26-17-19)29-13-15-32-16-14-29;29-23(30)21-20(16-5-2-1-3-6-16)26-22-18(7-4-10-28(21)22)25-17-8-9-19(24-15-17)27-11-13-31-14-12-27;1-2-21-16(20)14-13(11-7-4-3-5-8-11)18-15-12(17)9-6-10-19(14)15;1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12;6-4-2-1-3-8-5(4)7/h3-12,17,27H,2,13-16H2,1H3;1-10,15,25H,11-14H2,(H,29,30);3-10H,2,17H2,1H3;3-7,9H,2H2,1H3;1-2,7H,3-6,10H2;1-3H,(H2,7,8)
• InChIKey: HMEWIAAHGJYYDS-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 376.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.62
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 158520936) is 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is CCOC(=O)C(Br)C(=O)c1ccccc1.CCOC(=O)c1c(-c2ccccc2)nc2c(N)cccn12.CCOC(=O)c1c(-c2ccccc2)nc2c(Nc3ccc(N4CCOCC4)nc3)cccn12.Nc1ccc(N2CCOCC2)nc1.Nc1ncccc1Br.O=C(O)c1c(-c2ccccc2)nc2c(Nc3ccc(N4CCOCC4)nc3)cccn12.

What is the InChIKey of 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is HMEWIAAHGJYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3.C23H21N5O3.C16H15N3O2.C11H11BrO3.C9H13N3O.C5H5BrN2/c1-2-33-25(31)23-22(18-7-4-3-5-8-18)28-24-20(9-6-12-30(23)24)27-19-10-11-21(26-17-19)29-13-15-32-16-14-29;29-23(30)21-20(16-5-2-1-3-6-16)26-22-18(7-4-10-28(21)22)25-17-8-9-19(24-15-17)27-11-13-31-14-12-27;1-2-21-16(20)14-13(11-7-4-3-5-8-11)18-15-12(17)9-6-10-19(14)15;1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12;6-4-2-1-3-8-5(4)7/h3-12,17,27H,2,13-16H2,1H3;1-10,15,25H,11-14H2,(H,29,30);3-10H,2,17H2,1H3;3-7,9H,2H2,1H3;1-2,7H,3-6,10H2;1-3H,(H2,7,8).

What are the key properties of 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid?

3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 1763.62 g/mol, XLogP of 14.71, 19 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 158520936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).