2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide

C72H81FN12O10 — CID 146279893

About 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide

2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 146279893) has the molecular formula C72H81FN12O10 and a molecular weight of 1293.51 g/mol. Its IUPAC name is 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
• PubChem CID: 146279893
• Molecular Formula: C72H81FN12O10
• Molecular Weight: 1293.51 g/mol
• Exact Mass: 1292.62
• IUPAC Name: 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
• SMILES: COCCOC1C(c2ccc(C(=O)N(c3nc(CC4(C)ON=C(c5ccc(C(=O)N(c6ncc(CC7(C)ON=C(c8ccc(C(=O)N(c9ncccc9C)[C@@H]9CCCNC9)cc8)C7=O)cc6C)[C@@H]6CCCNC6)c(F)c5)C4=O)ccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C
• InChI: InChI=1S/C72H81FN12O10/c1-43-13-9-32-77-64(43)83(53-14-10-29-74-40-53)67(88)49-22-18-47(19-23-49)58-61(86)71(6,94-80-58)37-46-35-45(3)65(78-39-46)84(54-15-11-30-75-41-54)69(90)56-28-26-51(36-57(56)73)59-62(87)72(7,95-81-59)38-52-27-17-44(2)66(79-52)85(55-16-12-31-76-42-55)68(89)50-24-20-48(21-25-50)60-63(92-34-33-91-8)70(4,5)93-82-60/h9,13,17-28,32,35-36,39,53-55,63,74-76H,10-12,14-16,29-31,33-34,37-38,40-42H2,1-8H3/t53-,54-,55-,63?,71?,72?/m1/s1
• InChIKey: NBEILOHDMKNIHG-JFIKGOTKSA-N
• XLogP: 8.29
• TPSA: 253.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.51
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?

The IUPAC name of 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide (CID 146279893) is 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide.

What is the SMILES notation for 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?

The canonical SMILES for 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide is COCCOC1C(c2ccc(C(=O)N(c3nc(CC4(C)ON=C(c5ccc(C(=O)N(c6ncc(CC7(C)ON=C(c8ccc(C(=O)N(c9ncccc9C)[C@@H]9CCCNC9)cc8)C7=O)cc6C)[C@@H]6CCCNC6)c(F)c5)C4=O)ccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.

What is the InChIKey of 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?

The InChIKey is NBEILOHDMKNIHG-JFIKGOTKSA-N. The full InChI is InChI=1S/C72H81FN12O10/c1-43-13-9-32-77-64(43)83(53-14-10-29-74-40-53)67(88)49-22-18-47(19-23-49)58-61(86)71(6,94-80-58)37-46-35-45(3)65(78-39-46)84(54-15-11-30-75-41-54)69(90)56-28-26-51(36-57(56)73)59-62(87)72(7,95-81-59)38-52-27-17-44(2)66(79-52)85(55-16-12-31-76-42-55)68(89)50-24-20-48(21-25-50)60-63(92-34-33-91-8)70(4,5)93-82-60/h9,13,17-28,32,35-36,39,53-55,63,74-76H,10-12,14-16,29-31,33-34,37-38,40-42H2,1-8H3/t53-,54-,55-,63?,71?,72?/m1/s1.

What are the key properties of 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide?

2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 1293.51 g/mol, XLogP of 8.29, 20 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 146279893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).