(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide

C90H106Cl3F7N20O10 — CID 159978636

About (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide

(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide (PubChem CID 159978636) has the molecular formula C90H106Cl3F7N20O10 and a molecular weight of 1867.31 g/mol. Its IUPAC name is (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide.

Molecular Properties

• Compound Name: (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide
• PubChem CID: 159978636
• Molecular Formula: C90H106Cl3F7N20O10
• Molecular Weight: 1867.31 g/mol
• Exact Mass: 1864.74
• IUPAC Name: (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide
• SMILES: CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1(C)CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.CCC(O)(CF)CC(=O)Nc1nc2ccc(Cl)nc2n1C1(C)CCC1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CC(F)(F)C1)c1ccccc1
• InChI: InChI=1S/C20H19ClF2N4O2.C18H17ClF2N4O2.C18H25FN4O2.C17H22ClFN4O2.C17H23FN4O2/c1-19(29,12-5-3-2-4-6-12)11-16(28)26-18-24-14-7-8-15(21)25-17(14)27(18)13-9-20(22,23)10-13;1-2-18(27,10-20)9-15(26)24-17-22-13-7-8-14(19)23-16(13)25(17)12-5-3-11(21)4-6-12;1-4-18(25,11-19)10-14(24)22-16-21-13-7-6-12(2)20-15(13)23(16)17(3)8-5-9-17;1-3-17(25,10-19)9-13(24)22-15-20-11-5-6-12(18)21-14(11)23(15)16(2)7-4-8-16;1-3-17(24,10-18)9-14(23)21-16-20-13-8-7-11(2)19-15(13)22(16)12-5-4-6-12/h2-8,13,29H,9-11H2,1H3,(H,24,26,28);3-8,27H,2,9-10H2,1H3,(H,22,24,26);6-7,25H,4-5,8-11H2,1-3H3,(H,21,22,24);5-6,25H,3-4,7-10H2,1-2H3,(H,20,22,24);7-8,12,24H,3-6,9-10H2,1-2H3,(H,20,21,23)/t19-;;;;/m1..../s1
• InChIKey: OFMCJWSGIQVEAT-MXFMKSRJSA-N
• XLogP: 17.35
• TPSA: 400.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.31
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide?

The IUPAC name of (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide (CID 159978636) is (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide.

What is the SMILES notation for (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide?

The canonical SMILES for (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide is CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1(C)CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(F)cc1.CCC(O)(CF)CC(=O)Nc1nc2ccc(Cl)nc2n1C1(C)CCC1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CC(F)(F)C1)c1ccccc1.

What is the InChIKey of (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide?

The InChIKey is OFMCJWSGIQVEAT-MXFMKSRJSA-N. The full InChI is InChI=1S/C20H19ClF2N4O2.C18H17ClF2N4O2.C18H25FN4O2.C17H22ClFN4O2.C17H23FN4O2/c1-19(29,12-5-3-2-4-6-12)11-16(28)26-18-24-14-7-8-15(21)25-17(14)27(18)13-9-20(22,23)10-13;1-2-18(27,10-20)9-15(26)24-17-22-13-7-8-14(19)23-16(13)25(17)12-5-3-11(21)4-6-12;1-4-18(25,11-19)10-14(24)22-16-21-13-7-6-12(2)20-15(13)23(16)17(3)8-5-9-17;1-3-17(25,10-19)9-13(24)22-15-20-11-5-6-12(18)21-14(11)23(15)16(2)7-4-8-16;1-3-17(24,10-18)9-14(23)21-16-20-13-8-7-11(2)19-15(13)22(16)12-5-4-6-12/h2-8,13,29H,9-11H2,1H3,(H,24,26,28);3-8,27H,2,9-10H2,1H3,(H,22,24,26);6-7,25H,4-5,8-11H2,1-3H3,(H,21,22,24);5-6,25H,3-4,7-10H2,1-2H3,(H,20,22,24);7-8,12,24H,3-6,9-10H2,1-2H3,(H,20,21,23)/t19-;;;;/m1..../s1.

What are the key properties of (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide?

(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide has a molecular weight of 1867.31 g/mol, XLogP of 17.35, 29 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide is sourced from PubChem (CID 159978636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).