2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide

C107H103Cl6F5N26O11 — CID 165070812

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 165070812) has the molecular formula C107H103Cl6F5N26O11 and a molecular weight of 2236.88 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
• PubChem CID: 165070812
• Molecular Formula: C107H103Cl6F5N26O11
• Molecular Weight: 2236.88 g/mol
• Exact Mass: 2232.64
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nc(Cl)cc5nccn45)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5cccc(OC(F)(F)F)c5)(C3)C4)nccn2n1.Cc1nn(C)c2c(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)ncnc12.Cc1nn(C)cc1-c1ccnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
• InChI: InChI=1S/C24H22Cl2N4O2.C22H22ClFN6O2.C21H20F3N5O3.C20H19Cl2N5O2.C20H20ClFN6O2/c1-15-10-18(6-7-19(15)26)32-11-21(31)30-24-12-23(13-24,14-24)29-20-8-9-27-22(28-20)16-2-4-17(25)5-3-16;1-13-15(8-30(2)29-13)18-5-6-25-20(26-18)28-22-10-21(11-22,12-22)27-19(31)9-32-14-3-4-16(23)17(24)7-14;1-13-7-16-18(25-5-6-29(16)28-13)27-20-10-19(11-20,12-20)26-17(30)9-31-14-3-2-4-15(8-14)32-21(22,23)24;1-12-6-13(2-3-14(12)21)29-8-17(28)25-19-9-20(10-19,11-19)26-18-24-15(22)7-16-23-4-5-27(16)18;1-11-16-17(28(2)27-11)18(24-10-23-16)26-20-7-19(8-20,9-20)25-15(29)6-30-12-3-4-13(21)14(22)5-12/h2-10H,11-14H2,1H3,(H,30,31)(H,27,28,29);3-8H,9-12H2,1-2H3,(H,27,31)(H,25,26,28);2-8H,9-12H2,1H3,(H,25,27)(H,26,30);2-7H,8-11H2,1H3,(H,24,26)(H,25,28);3-5,10H,6-9H2,1-2H3,(H,25,29)(H,23,24,26)
• InChIKey: SSIYEIRSQGNRHA-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 434.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2236.88
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide (CID 165070812) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4ccnc(-c5ccc(Cl)cc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4nc(Cl)cc5nccn45)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5cccc(OC(F)(F)F)c5)(C3)C4)nccn2n1.Cc1nn(C)c2c(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)ncnc12.Cc1nn(C)cc1-c1ccnc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?

The InChIKey is SSIYEIRSQGNRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2.C22H22ClFN6O2.C21H20F3N5O3.C20H19Cl2N5O2.C20H20ClFN6O2/c1-15-10-18(6-7-19(15)26)32-11-21(31)30-24-12-23(13-24,14-24)29-20-8-9-27-22(28-20)16-2-4-17(25)5-3-16;1-13-15(8-30(2)29-13)18-5-6-25-20(26-18)28-22-10-21(11-22,12-22)27-19(31)9-32-14-3-4-16(23)17(24)7-14;1-13-7-16-18(25-5-6-29(16)28-13)27-20-10-19(11-20,12-20)26-17(30)9-31-14-3-2-4-15(8-14)32-21(22,23)24;1-12-6-13(2-3-14(12)21)29-8-17(28)25-19-9-20(10-19,11-19)26-18-24-15(22)7-16-23-4-5-27(16)18;1-11-16-17(28(2)27-11)18(24-10-23-16)26-20-7-19(8-20,9-20)25-15(29)6-30-12-3-4-13(21)14(22)5-12/h2-10H,11-14H2,1H3,(H,30,31)(H,27,28,29);3-8H,9-12H2,1-2H3,(H,27,31)(H,25,26,28);2-8H,9-12H2,1H3,(H,25,27)(H,26,30);2-7H,8-11H2,1H3,(H,24,26)(H,25,28);3-5,10H,6-9H2,1-2H3,(H,25,29)(H,23,24,26).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 2236.88 g/mol, XLogP of 17.89, 33 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroimidazo[1,2-c]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[2-(4-chlorophenyl)pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 165070812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).