N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

C123H137Cl2F2N25O12 — CID 158987889

About N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 158987889) has the molecular formula C123H137Cl2F2N25O12 and a molecular weight of 2266.51 g/mol. Its IUPAC name is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
• PubChem CID: 158987889
• Molecular Formula: C123H137Cl2F2N25O12
• Molecular Weight: 2266.51 g/mol
• Exact Mass: 2264.02
• IUPAC Name: N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
• SMILES: CC(C)(O)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.CC(C)Cn1c(NC(=O)C[C@@](C)(O)c2ccccc2)nc2ccc(Cl)nc21.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CCC3)nc2n1C1CCC1)c1ccccc1.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CCC3)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2n1.Cc1cnc2c(c1)nc(NC(=O)C[C@@](C)(O)c1ccccn1)n2C1CCC1
• InChI: InChI=1S/2C24H28N4O2.C20H23ClN4O2.C20H23N5O2.C18H19FN4O2.C17H16ClFN4O2/c2*1-24(30,17-9-3-2-4-10-17)15-21(29)27-23-26-20-14-13-19(16-7-5-8-16)25-22(20)28(23)18-11-6-12-18;1-13(2)12-25-18-15(9-10-16(21)23-18)22-19(25)24-17(26)11-20(3,27)14-7-5-4-6-8-14;1-13-10-15-18(22-12-13)25(14-6-5-7-14)19(23-15)24-17(26)11-20(2,27)16-8-3-4-9-21-16;1-11-4-9-14-16(20-11)23(13-7-5-12(19)6-8-13)17(21-14)22-15(24)10-18(2,3)25;1-17(2,25)9-14(24)22-16-20-12-7-8-13(18)21-15(12)23(16)11-5-3-10(19)4-6-11/h2*2-4,9-10,13-14,16,18,30H,5-8,11-12,15H2,1H3,(H,26,27,29);4-10,13,27H,11-12H2,1-3H3,(H,22,24,26);3-4,8-10,12,14,27H,5-7,11H2,1-2H3,(H,23,24,26);4-9,25H,10H2,1-3H3,(H,21,22,24);3-8,25H,9H2,1-2H3,(H,20,22,24)/t2*24-;2*20-;;/m1111../s1
• InChIKey: JPUJRZPYVCERSJ-DUBSFFGLSA-N
• XLogP: 22.67
• TPSA: 493.13 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.51
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?

The IUPAC name of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (CID 158987889) is N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.

What is the SMILES notation for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?

The canonical SMILES for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.CC(C)Cn1c(NC(=O)C[C@@](C)(O)c2ccccc2)nc2ccc(Cl)nc21.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CCC3)nc2n1C1CCC1)c1ccccc1.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CCC3)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2n1.Cc1cnc2c(c1)nc(NC(=O)C[C@@](C)(O)c1ccccn1)n2C1CCC1.

What is the InChIKey of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?

The InChIKey is JPUJRZPYVCERSJ-DUBSFFGLSA-N. The full InChI is InChI=1S/2C24H28N4O2.C20H23ClN4O2.C20H23N5O2.C18H19FN4O2.C17H16ClFN4O2/c2*1-24(30,17-9-3-2-4-10-17)15-21(29)27-23-26-20-14-13-19(16-7-5-8-16)25-22(20)28(23)18-11-6-12-18;1-13(2)12-25-18-15(9-10-16(21)23-18)22-19(25)24-17(26)11-20(3,27)14-7-5-4-6-8-14;1-13-10-15-18(22-12-13)25(14-6-5-7-14)19(23-15)24-17(26)11-20(2,27)16-8-3-4-9-21-16;1-11-4-9-14-16(20-11)23(13-7-5-12(19)6-8-13)17(21-14)22-15(24)10-18(2,3)25;1-17(2,25)9-14(24)22-16-20-12-7-8-13(18)21-15(12)23(16)11-5-3-10(19)4-6-11/h2*2-4,9-10,13-14,16,18,30H,5-8,11-12,15H2,1H3,(H,26,27,29);4-10,13,27H,11-12H2,1-3H3,(H,22,24,26);3-4,8-10,12,14,27H,5-7,11H2,1-2H3,(H,23,24,26);4-9,25H,10H2,1-3H3,(H,21,22,24);3-8,25H,9H2,1-2H3,(H,20,22,24)/t2*24-;2*20-;;/m1111../s1.

What are the key properties of N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 2266.51 g/mol, XLogP of 22.67, 31 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 158987889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).