2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C103H102Cl3F6N25O12 — CID 165046149

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165046149) has the molecular formula C103H102Cl3F6N25O12 and a molecular weight of 2102.46 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 165046149
• Molecular Formula: C103H102Cl3F6N25O12
• Molecular Weight: 2102.46 g/mol
• Exact Mass: 2099.71
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4nccn5cccc45)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5ccc(OC(F)F)cc5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5cccc(OC(F)F)c5)(C3)C4)nccn2n1.Cc1nn(C)c2ncnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)c12
• InChI: InChI=1S/C21H21ClN4O2.2C21H21F2N5O3.C20H20ClFN6O2.C20H19ClFN5O2/c1-14-9-15(4-5-16(14)22)28-10-18(27)24-20-11-21(12-20,13-20)25-19-17-3-2-7-26(17)8-6-23-19;1-13-8-16-18(24-6-7-28(16)27-13)26-21-10-20(11-21,12-21)25-17(29)9-30-14-2-4-15(5-3-14)31-19(22)23;1-13-7-16-18(24-5-6-28(16)27-13)26-21-10-20(11-21,12-21)25-17(29)9-30-14-3-2-4-15(8-14)31-19(22)23;1-11-16-17(23-10-24-18(16)28(2)27-11)26-20-7-19(8-20,9-20)25-15(29)6-30-12-3-4-13(21)14(22)5-12;1-12-6-16-18(23-4-5-27(16)26-12)25-20-9-19(10-20,11-20)24-17(28)8-29-13-2-3-14(21)15(22)7-13/h2-9H,10-13H2,1H3,(H,23,25)(H,24,27);2*2-8,19H,9-12H2,1H3,(H,24,26)(H,25,29);3-5,10H,6-9H2,1-2H3,(H,25,29)(H,23,24,26);2-7H,8-11H2,1H3,(H,23,25)(H,24,28)
• InChIKey: OXTOTFBJKWAXJL-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 421.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.46
LogP ≤ 5	15.28
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[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165046149) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

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

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4nccn5cccc45)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5ccc(OC(F)F)cc5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5cccc(OC(F)F)c5)(C3)C4)nccn2n1.Cc1nn(C)c2ncnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)c12.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is OXTOTFBJKWAXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2.2C21H21F2N5O3.C20H20ClFN6O2.C20H19ClFN5O2/c1-14-9-15(4-5-16(14)22)28-10-18(27)24-20-11-21(12-20,13-20)25-19-17-3-2-7-26(17)8-6-23-19;1-13-8-16-18(24-6-7-28(16)27-13)26-21-10-20(11-21,12-21)25-17(29)9-30-14-2-4-15(5-3-14)31-19(22)23;1-13-7-16-18(24-5-6-28(16)27-13)26-21-10-20(11-21,12-21)25-17(29)9-30-14-3-2-4-15(8-14)31-19(22)23;1-11-16-17(23-10-24-18(16)28(2)27-11)26-20-7-19(8-20,9-20)25-15(29)6-30-12-3-4-13(21)14(22)5-12;1-12-6-16-18(23-4-5-27(16)26-12)25-20-9-19(10-20,11-20)24-17(28)8-29-13-2-3-14(21)15(22)7-13/h2-9H,10-13H2,1H3,(H,23,25)(H,24,27);2*2-8,19H,9-12H2,1H3,(H,24,26)(H,25,29);3-5,10H,6-9H2,1-2H3,(H,25,29)(H,23,24,26);2-7H,8-11H2,1H3,(H,23,25)(H,24,28).

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

2-(4-chloro-3-fluorophenoxy)-N-[3-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2102.46 g/mol, XLogP of 15.28, 34 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[3,4-d]pyrimidin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrrolo[1,2-a]pyrazin-1-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[4-(difluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165046149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).