2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide

C93H114ClF2N21O5 — CID 158742657

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide (PubChem CID 158742657) has the molecular formula C93H114ClF2N21O5 and a molecular weight of 1679.53 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide
• PubChem CID: 158742657
• Molecular Formula: C93H114ClF2N21O5
• Molecular Weight: 1679.53 g/mol
• Exact Mass: 1677.90
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide
• SMILES: CC(F)(F)C(C)(C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.CC1=CC(CC(=O)Nc2nc3cc(C)cnc3n2C2CCC2)=NC1.Cc1ccc(CC(=O)Nc2nc3cc(C)cnc3n2C2CCC2)cc1.Cc1cnc2c(c1)nc(NC(=O)CC1CC3CCC1C3)n2C1CCC1.Cc1cnc2c(c1)nc(NC(=O)CCC1CCCC1)n2C1CCC1
• InChI: InChI=1S/C20H26N4O.C20H22N4O.C19H26N4O.C18H21N5O.C16H19ClF2N4O/c1-12-7-17-19(21-11-12)24(16-3-2-4-16)20(22-17)23-18(25)10-15-9-13-5-6-14(15)8-13;1-13-6-8-15(9-7-13)11-18(25)23-20-22-17-10-14(2)12-21-19(17)24(20)16-4-3-5-16;1-13-11-16-18(20-12-13)23(15-7-4-8-15)19(21-16)22-17(24)10-9-14-5-2-3-6-14;1-11-6-13(19-9-11)8-16(24)22-18-21-15-7-12(2)10-20-17(15)23(18)14-4-3-5-14;1-15(2,16(3,18)19)13(24)22-14-20-10-7-8-11(17)21-12(10)23(14)9-5-4-6-9/h7,11,13-16H,2-6,8-10H2,1H3,(H,22,23,25);6-10,12,16H,3-5,11H2,1-2H3,(H,22,23,25);11-12,14-15H,2-10H2,1H3,(H,21,22,24);6-7,10,14H,3-5,8-9H2,1-2H3,(H,21,22,24);7-9H,4-6H2,1-3H3,(H,20,22,24)
• InChIKey: IMMKUYAQMZZLBX-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 311.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.53
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide (CID 158742657) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide is CC(F)(F)C(C)(C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.CC1=CC(CC(=O)Nc2nc3cc(C)cnc3n2C2CCC2)=NC1.Cc1ccc(CC(=O)Nc2nc3cc(C)cnc3n2C2CCC2)cc1.Cc1cnc2c(c1)nc(NC(=O)CC1CC3CCC1C3)n2C1CCC1.Cc1cnc2c(c1)nc(NC(=O)CCC1CCCC1)n2C1CCC1.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide?

The InChIKey is IMMKUYAQMZZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.C20H22N4O.C19H26N4O.C18H21N5O.C16H19ClF2N4O/c1-12-7-17-19(21-11-12)24(16-3-2-4-16)20(22-17)23-18(25)10-15-9-13-5-6-14(15)8-13;1-13-6-8-15(9-7-13)11-18(25)23-20-22-17-10-14(2)12-21-19(17)24(20)16-4-3-5-16;1-13-11-16-18(20-12-13)23(15-7-4-8-15)19(21-16)22-17(24)10-9-14-5-2-3-6-14;1-11-6-13(19-9-11)8-16(24)22-18-21-15-7-12(2)10-20-17(15)23(18)14-4-3-5-14;1-15(2,16(3,18)19)13(24)22-14-20-10-7-8-11(17)21-12(10)23(14)9-5-4-6-9/h7,11,13-16H,2-6,8-10H2,1H3,(H,22,23,25);6-10,12,16H,3-5,11H2,1-2H3,(H,22,23,25);11-12,14-15H,2-10H2,1H3,(H,21,22,24);6-7,10,14H,3-5,8-9H2,1-2H3,(H,21,22,24);7-9H,4-6H2,1-3H3,(H,20,22,24).

What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide?

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide has a molecular weight of 1679.53 g/mol, XLogP of 20.18, 21 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-difluoro-2,2-dimethylbutanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopentylpropanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(4-methylphenyl)acetamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-2-(3-methyl-2H-pyrrol-5-yl)acetamide is sourced from PubChem (CID 158742657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).