2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide

C93H88Cl4F2N14O14 — CID 158647191

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 158647191) has the molecular formula C93H88Cl4F2N14O14 and a molecular weight of 1805.62 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide
• PubChem CID: 158647191
• Molecular Formula: C93H88Cl4F2N14O14
• Molecular Weight: 1805.62 g/mol
• Exact Mass: 1802.53
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide
• SMILES: CC(=O)Cc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cccnc4-n4cccn4)(C2)C3)ccc1Cl.Cc1cnc2c(C(=O)NC34CC(NC(=O)COc5ccc(Cl)c(C)c5)(C3)C4)cnn2c1.Cc1onc(-c2ccccn2)c1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
• InChI: InChI=1S/C24H21ClFN3O4.C24H23ClN4O3.C23H22ClFN2O4.C22H22ClN5O3/c1-14-21(22(29-33-14)18-4-2-3-7-27-18)19(30)9-23-11-24(12-23,13-23)28-20(31)10-32-15-5-6-16(25)17(26)8-15;1-16-10-18(5-6-20(16)25)32-12-17(30)11-23-13-24(14-23,15-23)28-22(31)19-4-2-7-26-21(19)29-9-3-8-27-29;1-14(28)6-16-3-2-15(9-26-16)20(29)8-22-11-23(12-22,13-22)27-21(30)10-31-17-4-5-18(24)19(25)7-17;1-13-6-24-19-16(7-25-28(19)8-13)20(30)27-22-10-21(11-22,12-22)26-18(29)9-31-15-3-4-17(23)14(2)5-15/h2-8H,9-13H2,1H3,(H,28,31);2-10H,11-15H2,1H3,(H,28,31);2-5,7,9H,6,8,10-13H2,1H3,(H,27,30);3-8H,9-12H2,1-2H3,(H,26,29)(H,27,30)
• InChIKey: IBCMXLKTVQJYSX-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 363.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.62
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide (CID 158647191) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide is CC(=O)Cc1ccc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4cccnc4-n4cccn4)(C2)C3)ccc1Cl.Cc1cnc2c(C(=O)NC34CC(NC(=O)COc5ccc(Cl)c(C)c5)(C3)C4)cnn2c1.Cc1onc(-c2ccccn2)c1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide?

The InChIKey is IBCMXLKTVQJYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O4.C24H23ClN4O3.C23H22ClFN2O4.C22H22ClN5O3/c1-14-21(22(29-33-14)18-4-2-3-7-27-18)19(30)9-23-11-24(12-23,13-23)28-20(31)10-32-15-5-6-16(25)17(26)8-15;1-16-10-18(5-6-20(16)25)32-12-17(30)11-23-13-24(14-23,15-23)28-22(31)19-4-2-7-26-21(19)29-9-3-8-27-29;1-14(28)6-16-3-2-15(9-26-16)20(29)8-22-11-23(12-22,13-22)27-21(30)10-31-17-4-5-18(24)19(25)7-17;1-13-6-24-19-16(7-25-28(19)8-13)20(30)27-22-10-21(11-22,12-22)26-18(29)9-31-15-3-4-17(23)14(2)5-15/h2-8H,9-13H2,1H3,(H,28,31);2-10H,11-15H2,1H3,(H,28,31);2-5,7,9H,6,8,10-13H2,1H3,(H,27,30);3-8H,9-12H2,1-2H3,(H,26,29)(H,27,30).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide?

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 1805.62 g/mol, XLogP of 14.74, 31 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 158647191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).