N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C88H105Cl2F6N21O10 — CID 162254558

About N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 162254558) has the molecular formula C88H105Cl2F6N21O10 and a molecular weight of 1801.84 g/mol. Its IUPAC name is N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 162254558
• Molecular Formula: C88H105Cl2F6N21O10
• Molecular Weight: 1801.84 g/mol
• Exact Mass: 1799.76
• IUPAC Name: N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(O)CC(=O)Nc1nc2ccc(Cl)nc2n1C1CC(F)(F)C1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.COc1ccc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)cn1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CC(F)(F)C1)c1ccccc1
• InChI: InChI=1S/C20H19ClF2N4O2.C19H23N5O2.2C17H23FN4O2.C15H17ClF2N4O2/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;1-12-6-8-14-17(21-12)24(13-7-9-16(26-5)20-11-13)18(22-14)23-15(25)10-19(2,3)4;2*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;1-14(2,24)7-11(23)21-13-19-9-3-4-10(16)20-12(9)22(13)8-5-15(17,18)6-8/h2-8,13,29H,9-11H2,1H3,(H,24,26,28);6-9,11H,10H2,1-5H3,(H,22,23,25);2*7-8,12,24H,3-6,9-10H2,1-2H3,(H,20,21,23);3-4,8,24H,5-7H2,1-2H3,(H,19,21,23)/t19-;;;;/m1..../s1
• InChIKey: ZYKRMPSNZFCFOO-MXFMKSRJSA-N
• XLogP: 16.76
• TPSA: 402.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.84
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 162254558) is N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(O)CC(=O)Nc1nc2ccc(Cl)nc2n1C1CC(F)(F)C1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.COc1ccc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)cn1.C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CC(F)(F)C1)c1ccccc1.

What is the InChIKey of N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The InChIKey is ZYKRMPSNZFCFOO-MXFMKSRJSA-N. The full InChI is InChI=1S/C20H19ClF2N4O2.C19H23N5O2.2C17H23FN4O2.C15H17ClF2N4O2/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;1-12-6-8-14-17(21-12)24(13-7-9-16(26-5)20-11-13)18(22-14)23-15(25)10-19(2,3)4;2*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;1-14(2,24)7-11(23)21-13-19-9-3-4-10(16)20-12(9)22(13)8-5-15(17,18)6-8/h2-8,13,29H,9-11H2,1H3,(H,24,26,28);6-9,11H,10H2,1-5H3,(H,22,23,25);2*7-8,12,24H,3-6,9-10H2,1-2H3,(H,20,21,23);3-4,8,24H,5-7H2,1-2H3,(H,19,21,23)/t19-;;;;/m1..../s1.

What are the key properties of N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1801.84 g/mol, XLogP of 16.76, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;bis(N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide);N-[3-(6-methoxy-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 162254558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).