3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine

C84H71BBrCl3F3N11O10 — CID 162000056

About 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine

3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine (PubChem CID 162000056) has the molecular formula C84H71BBrCl3F3N11O10 and a molecular weight of 1648.63 g/mol. Its IUPAC name is 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine.

Molecular Properties

• Compound Name: 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine
• PubChem CID: 162000056
• Molecular Formula: C84H71BBrCl3F3N11O10
• Molecular Weight: 1648.63 g/mol
• Exact Mass: 1645.37
• IUPAC Name: 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine
• SMILES: CC(C)(N)c1ccccc1.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)O)ccc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.O=C(O)c1ccc(Cl)c(B(O)O)c1
• InChI: InChI=1S/C31H26ClFN4O2.C22H15ClFN3O3.C15H11BrFN3O.C9H13N.C7H6BClO4/c1-31(2,22-7-5-4-6-8-22)36-29(38)20-11-15-25(32)24(17-20)21-12-16-26-35-27(19-9-13-23(33)14-10-19)28(30(39)34-3)37(26)18-21;1-25-21(28)20-19(12-2-6-15(24)7-3-12)26-18-9-5-14(11-27(18)20)16-10-13(22(29)30)4-8-17(16)23;1-18-15(21)14-13(9-2-5-11(17)6-3-9)19-12-7-4-10(16)8-20(12)14;1-9(2,10)8-6-4-3-5-7-8;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h4-18H,1-3H3,(H,34,39)(H,36,38);2-11H,1H3,(H,25,28)(H,29,30);2-8H,1H3,(H,18,21);3-7H,10H2,1-2H3;1-3,12-13H,(H,10,11)
• InChIKey: YSBWDNGNBOFMLO-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 309.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1648.63
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine?

The IUPAC name of 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine (CID 162000056) is 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine.

What is the SMILES notation for 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine?

The canonical SMILES for 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine is CC(C)(N)c1ccccc1.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)O)ccc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.O=C(O)c1ccc(Cl)c(B(O)O)c1.

What is the InChIKey of 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine?

The InChIKey is YSBWDNGNBOFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClFN4O2.C22H15ClFN3O3.C15H11BrFN3O.C9H13N.C7H6BClO4/c1-31(2,22-7-5-4-6-8-22)36-29(38)20-11-15-25(32)24(17-20)21-12-16-26-35-27(19-9-13-23(33)14-10-19)28(30(39)34-3)37(26)18-21;1-25-21(28)20-19(12-2-6-15(24)7-3-12)26-18-9-5-14(11-27(18)20)16-10-13(22(29)30)4-8-17(16)23;1-18-15(21)14-13(9-2-5-11(17)6-3-9)19-12-7-4-10(16)8-20(12)14;1-9(2,10)8-6-4-3-5-7-8;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h4-18H,1-3H3,(H,34,39)(H,36,38);2-11H,1H3,(H,25,28)(H,29,30);2-8H,1H3,(H,18,21);3-7H,10H2,1-2H3;1-3,12-13H,(H,10,11).

What are the key properties of 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine?

3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine has a molecular weight of 1648.63 g/mol, XLogP of 15.86, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine is sourced from PubChem (CID 162000056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).