2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C107H107Cl6F2N21O10 — CID 164960205

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-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-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 164960205) has the molecular formula C107H107Cl6F2N21O10 and a molecular weight of 2097.88 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-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-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 164960205
• Molecular Formula: C107H107Cl6F2N21O10
• Molecular Weight: 2097.88 g/mol
• Exact Mass: 2093.66
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4cccc5c4CCN(C)C5)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc5cnccc45)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5ccc(Cl)c(Cl)c5)(C3)C4)nccn2n1.Cn1cc2c(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nccc2n1.Cn1cc2ccnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)c2n1
• InChI: InChI=1S/C24H28ClN3O2.C23H22ClN3O2.C20H19Cl2N5O2.2C20H19ClFN5O2/c1-16-10-18(6-7-20(16)25)30-12-22(29)27-24-13-23(14-24,15-24)26-21-5-3-4-17-11-28(2)9-8-19(17)21;1-15-9-17(5-6-19(15)24)29-11-21(28)27-23-12-22(13-23,14-23)26-20-4-2-3-16-10-25-8-7-18(16)20;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;1-27-7-12-4-5-23-18(17(12)26-27)25-20-9-19(10-20,11-20)24-16(28)8-29-13-2-3-14(21)15(22)6-13;1-27-7-13-16(26-27)4-5-23-18(13)25-20-9-19(10-20,11-20)24-17(28)8-29-12-2-3-14(21)15(22)6-12/h3-7,10,26H,8-9,11-15H2,1-2H3,(H,27,29);2-10,26H,11-14H2,1H3,(H,27,28);3*2-7H,8-11H2,1H3,(H,23,25)(H,24,28)
• InChIKey: BSSSPDGKKVVJNZ-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 359.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2097.88
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-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-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 164960205) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-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-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-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-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4cccc5c4CCN(C)C5)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cccc5cnccc45)(C2)C3)ccc1Cl.Cc1cc2c(NC34CC(NC(=O)COc5ccc(Cl)c(Cl)c5)(C3)C4)nccn2n1.Cn1cc2c(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)nccc2n1.Cn1cc2ccnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)c2n1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is BSSSPDGKKVVJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2.C23H22ClN3O2.C20H19Cl2N5O2.2C20H19ClFN5O2/c1-16-10-18(6-7-20(16)25)30-12-22(29)27-24-13-23(14-24,15-24)26-21-5-3-4-17-11-28(2)9-8-19(17)21;1-15-9-17(5-6-19(15)24)29-11-21(28)27-23-12-22(13-23,14-23)26-20-4-2-3-16-10-25-8-7-18(16)20;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;1-27-7-12-4-5-23-18(17(12)26-27)25-20-9-19(10-20,11-20)24-16(28)8-29-13-2-3-14(21)15(22)6-13;1-27-7-13-16(26-27)4-5-23-18(13)25-20-9-19(10-20,11-20)24-17(28)8-29-12-2-3-14(21)15(22)6-12/h3-7,10,26H,8-9,11-15H2,1-2H3,(H,27,29);2-10,26H,11-14H2,1H3,(H,27,28);3*2-7H,8-11H2,1H3,(H,23,25)(H,24,28).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-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-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 2097.88 g/mol, XLogP of 18.11, 30 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[3,4-c]pyridin-7-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-(isoquinolin-5-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 164960205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).