N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide

C108H106Cl4F9N19O12S — CID 162141846

About N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide

N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide (PubChem CID 162141846) has the molecular formula C108H106Cl4F9N19O12S and a molecular weight of 2207.02 g/mol. Its IUPAC name is N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide
• PubChem CID: 162141846
• Molecular Formula: C108H106Cl4F9N19O12S
• Molecular Weight: 2207.02 g/mol
• Exact Mass: 2203.66
• IUPAC Name: N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide
• SMILES: Cc1cc2c(CC34CC(NC(=O)COc5cc(F)c(F)c(F)c5)(C3)C4)nccn2n1.Cc1cc2c(CC34CC(NC(=O)COc5ccc(Cl)c(Cl)c5)(C3)C4)nccn2n1.Cc1cc2c(CC34CC(NC(=O)COc5ccc(OC(F)(F)F)c(F)c5)(C3)C4)nccn2n1.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@H](C)C3)c(C)s1.Cn1cc2ccnc(CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)c2n1
• InChI: InChI=1S/C23H27ClFN3O3S.C22H20F4N4O3.C21H20Cl2N4O2.C21H20ClFN4O2.C21H19F3N4O2/c1-13-11-22(28-21(30)20-14(2)32-15(3)26-20)6-8-23(13,9-7-22)27-19(29)12-31-16-4-5-17(24)18(25)10-16;1-13-6-17-16(27-4-5-30(17)29-13)8-20-10-21(11-20,12-20)28-19(31)9-32-14-2-3-18(15(23)7-14)33-22(24,25)26;1-13-6-18-17(24-4-5-27(18)26-13)8-20-10-21(11-20,12-20)25-19(28)9-29-14-2-3-15(22)16(23)7-14;1-27-8-13-4-5-24-17(19(13)26-27)7-20-10-21(11-20,12-20)25-18(28)9-29-14-2-3-15(22)16(23)6-14;1-12-4-17-16(25-2-3-28(17)27-12)7-20-9-21(10-20,11-20)26-18(29)8-30-13-5-14(22)19(24)15(23)6-13/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,27,29)(H,28,30);2-7H,8-12H2,1H3,(H,28,31);2-7H,8-12H2,1H3,(H,25,28);2-6,8H,7,9-12H2,1H3,(H,25,28);2-6H,7-11H2,1H3,(H,26,29)/t13-,22?,23?;;;;/m1..../s1
• InChIKey: ZKAJQXANJKWEBM-SJOPWYIASA-N
• XLogP: 18.85
• TPSA: 364.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.02
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide?

The IUPAC name of N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide (CID 162141846) is N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide.

What is the SMILES notation for N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide?

The canonical SMILES for N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide is Cc1cc2c(CC34CC(NC(=O)COc5cc(F)c(F)c(F)c5)(C3)C4)nccn2n1.Cc1cc2c(CC34CC(NC(=O)COc5ccc(Cl)c(Cl)c5)(C3)C4)nccn2n1.Cc1cc2c(CC34CC(NC(=O)COc5ccc(OC(F)(F)F)c(F)c5)(C3)C4)nccn2n1.Cc1nc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)[C@H](C)C3)c(C)s1.Cn1cc2ccnc(CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)c2n1.

What is the InChIKey of N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide?

The InChIKey is ZKAJQXANJKWEBM-SJOPWYIASA-N. The full InChI is InChI=1S/C23H27ClFN3O3S.C22H20F4N4O3.C21H20Cl2N4O2.C21H20ClFN4O2.C21H19F3N4O2/c1-13-11-22(28-21(30)20-14(2)32-15(3)26-20)6-8-23(13,9-7-22)27-19(29)12-31-16-4-5-17(24)18(25)10-16;1-13-6-17-16(27-4-5-30(17)29-13)8-20-10-21(11-20,12-20)28-19(31)9-32-14-2-3-18(15(23)7-14)33-22(24,25)26;1-13-6-18-17(24-4-5-27(18)26-13)8-20-10-21(11-20,12-20)25-19(28)9-29-14-2-3-15(22)16(23)7-14;1-27-8-13-4-5-24-17(19(13)26-27)7-20-10-21(11-20,12-20)25-18(28)9-29-14-2-3-15(22)16(23)6-14;1-12-4-17-16(25-2-3-28(17)27-12)7-20-9-21(10-20,11-20)26-18(29)8-30-13-5-14(22)19(24)15(23)6-13/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,27,29)(H,28,30);2-7H,8-12H2,1H3,(H,28,31);2-7H,8-12H2,1H3,(H,25,28);2-6,8H,7,9-12H2,1H3,(H,25,28);2-6H,7-11H2,1H3,(H,26,29)/t13-,22?,23?;;;;/m1..../s1.

What are the key properties of N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide?

N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide has a molecular weight of 2207.02 g/mol, XLogP of 18.85, 31 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4,5-trifluorophenoxy)acetamide is sourced from PubChem (CID 162141846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).