2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide

C82H79Cl5FN15O11 — CID 160997545

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide (PubChem CID 160997545) has the molecular formula C82H79Cl5FN15O11 and a molecular weight of 1646.89 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide
• PubChem CID: 160997545
• Molecular Formula: C82H79Cl5FN15O11
• Molecular Weight: 1646.89 g/mol
• Exact Mass: 1643.45
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide
• SMILES: Cc1cc(OCC(=O)NC23CC(NC(=O)c4cc5ccccn5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccnn5c4)(C2)C3)ccc1Cl.Cc1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)nc1.Cc1cncc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
• InChI: InChI=1S/C23H22ClN3O3.C21H20ClN5O3.C20H19Cl2N3O3.C18H18ClFN4O2/c1-15-8-18(5-6-19(15)24)30-11-20(28)25-22-12-23(13-22,14-22)26-21(29)16-9-17-4-2-3-7-27(17)10-16;1-13-6-15(2-3-16(13)22)30-9-18(28)25-20-10-21(11-20,12-20)26-19(29)14-7-23-17-4-5-24-27(17)8-14;1-12-2-5-16(23-7-12)18(27)25-20-9-19(10-20,11-20)24-17(26)8-28-13-3-4-14(21)15(22)6-13;1-11-5-21-6-15(22-11)23-17-8-18(9-17,10-17)24-16(25)7-26-12-2-3-13(19)14(20)4-12/h2-10H,11-14H2,1H3,(H,25,28)(H,26,29);2-8H,9-12H2,1H3,(H,25,28)(H,26,29);2-7H,8-11H2,1H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,22,23)(H,24,25)
• InChIKey: TVLFYIMWJKOELK-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 325.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1646.89
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide (CID 160997545) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide is Cc1cc(OCC(=O)NC23CC(NC(=O)c4cc5ccccn5c4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(NC(=O)c4cnc5ccnn5c4)(C2)C3)ccc1Cl.Cc1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)nc1.Cc1cncc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide?

The InChIKey is TVLFYIMWJKOELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3.C21H20ClN5O3.C20H19Cl2N3O3.C18H18ClFN4O2/c1-15-8-18(5-6-19(15)24)30-11-20(28)25-22-12-23(13-22,14-22)26-21(29)16-9-17-4-2-3-7-27(17)10-16;1-13-6-15(2-3-16(13)22)30-9-18(28)25-20-10-21(11-20,12-20)26-19(29)14-7-23-17-4-5-24-27(17)8-14;1-12-2-5-16(23-7-12)18(27)25-20-9-19(10-20,11-20)24-17(26)8-28-13-3-4-14(21)15(22)6-13;1-11-5-21-6-15(22-11)23-17-8-18(9-17,10-17)24-16(25)7-26-12-2-3-13(19)14(20)4-12/h2-10H,11-14H2,1H3,(H,25,28)(H,26,29);2-8H,9-12H2,1H3,(H,25,28)(H,26,29);2-7H,8-11H2,1H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,22,23)(H,24,25).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide has a molecular weight of 1646.89 g/mol, XLogP of 11.95, 24 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 160997545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).