2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide

C101H96Cl2F9N25O11 — CID 165029160

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide (PubChem CID 165029160) has the molecular formula C101H96Cl2F9N25O11 and a molecular weight of 2077.93 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide
• PubChem CID: 165029160
• Molecular Formula: C101H96Cl2F9N25O11
• Molecular Weight: 2077.93 g/mol
• Exact Mass: 2075.70
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4ccn5nccc5n4)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5cc(F)c(F)c(F)c5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5ccc(F)cc5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5ccc(OC(F)(F)F)c(F)c5)(C3)C4)nccn2n1.Cc1cnn2ccc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nc12
• InChI: InChI=1S/C21H19F4N5O3.C20H19ClFN5O2.C20H20ClN5O2.C20H18F3N5O2.C20H20FN5O2/c1-12-6-15-18(26-4-5-30(15)29-12)28-20-9-19(10-20,11-20)27-17(31)8-32-13-2-3-16(14(22)7-13)33-21(23,24)25;1-12-7-23-27-5-4-16(24-18(12)27)25-19-9-20(10-19,11-19)26-17(28)8-29-13-2-3-14(21)15(22)6-13;1-13-8-14(2-3-15(13)21)28-9-18(27)25-20-10-19(11-20,12-20)24-16-5-7-26-17(23-16)4-6-22-26;1-11-4-15-18(24-2-3-28(15)27-11)26-20-8-19(9-20,10-20)25-16(29)7-30-12-5-13(21)17(23)14(22)6-12;1-13-8-16-18(22-6-7-26(16)25-13)24-20-10-19(11-20,12-20)23-17(27)9-28-15-4-2-14(21)3-5-15/h2-7H,8-11H2,1H3,(H,26,28)(H,27,31);2-7H,8-11H2,1H3,(H,24,25)(H,26,28);2-8H,9-12H2,1H3,(H,23,24)(H,25,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,29);2-8H,9-12H2,1H3,(H,22,24)(H,23,27)
• InChIKey: MJFVSEYSHMALBC-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 411.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2077.93
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide (CID 165029160) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide.

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

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide is Cc1cc(OCC(=O)NC23CC(Nc4ccn5nccc5n4)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5cc(F)c(F)c(F)c5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5ccc(F)cc5)(C3)C4)nccn2n1.Cc1cc2c(NC34CC(NC(=O)COc5ccc(OC(F)(F)F)c(F)c5)(C3)C4)nccn2n1.Cc1cnn2ccc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nc12.

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

The InChIKey is MJFVSEYSHMALBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O3.C20H19ClFN5O2.C20H20ClN5O2.C20H18F3N5O2.C20H20FN5O2/c1-12-6-15-18(26-4-5-30(15)29-12)28-20-9-19(10-20,11-20)27-17(31)8-32-13-2-3-16(14(22)7-13)33-21(23,24)25;1-12-7-23-27-5-4-16(24-18(12)27)25-19-9-20(10-19,11-19)26-17(28)8-29-13-2-3-14(21)15(22)6-13;1-13-8-14(2-3-15(13)21)28-9-18(27)25-20-10-19(11-20,12-20)24-16-5-7-26-17(23-16)4-6-22-26;1-11-4-15-18(24-2-3-28(15)27-11)26-20-8-19(9-20,10-20)25-16(29)7-30-12-5-13(21)17(23)14(22)6-12;1-13-8-16-18(22-6-7-26(16)25-13)24-20-10-19(11-20,12-20)23-17(27)9-28-15-4-2-14(21)3-5-15/h2-7H,8-11H2,1H3,(H,26,28)(H,27,31);2-7H,8-11H2,1H3,(H,24,25)(H,26,28);2-8H,9-12H2,1H3,(H,23,24)(H,25,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,29);2-8H,9-12H2,1H3,(H,22,24)(H,23,27).

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

2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide has a molecular weight of 2077.93 g/mol, XLogP of 14.64, 31 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-[3-fluoro-4-(trifluoromethoxy)phenoxy]-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-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-(3,4,5-trifluorophenoxy)acetamide is sourced from PubChem (CID 165029160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).