N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide

C67H71Cl3N12O9 — CID 146279913

About N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide

N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 146279913) has the molecular formula C67H71Cl3N12O9 and a molecular weight of 1294.74 g/mol. Its IUPAC name is N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide
• PubChem CID: 146279913
• Molecular Formula: C67H71Cl3N12O9
• Molecular Weight: 1294.74 g/mol
• Exact Mass: 1292.45
• IUPAC Name: N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide
• SMILES: COC1C(c2ccc(C(=O)N(c3ncc(C4(C)ON=C(c5ccc(C(=O)N(c6ncccc6Cl)[C@@H]6CCCNC6)cc5)C4=O)cc3Cl)[C@@H]3CCCNC3)cc2)=NOC1(C)Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)[C@@H]3OC)cc2)[C@@H]2CCCNC2)c(Cl)c1
• InChI: InChI=1S/C67H71Cl3N12O9/c1-65(2)57(87-5)54(78-89-65)41-17-23-44(24-18-41)63(85)81(48-12-8-28-72-37-48)60-51(69)31-39(34-75-60)33-66(3)58(88-6)55(79-90-66)42-19-25-45(26-20-42)64(86)82(49-13-9-29-73-38-49)61-52(70)32-46(35-76-61)67(4)56(83)53(77-91-67)40-15-21-43(22-16-40)62(84)80(47-11-7-27-71-36-47)59-50(68)14-10-30-74-59/h10,14-26,30-32,34-35,47-49,57-58,71-73H,7-9,11-13,27-29,33,36-38H2,1-6H3/t47-,48-,49-,57-,58?,66?,67?/m1/s1
• InChIKey: CGGPYAPCCOXLQQ-AKXSYCBVSA-N
• XLogP: 9.53
• TPSA: 235.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.74
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide (CID 146279913) is N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide.

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

The canonical SMILES for N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide is COC1C(c2ccc(C(=O)N(c3ncc(C4(C)ON=C(c5ccc(C(=O)N(c6ncccc6Cl)[C@@H]6CCCNC6)cc5)C4=O)cc3Cl)[C@@H]3CCCNC3)cc2)=NOC1(C)Cc1cnc(N(C(=O)c2ccc(C3=NOC(C)(C)[C@@H]3OC)cc2)[C@@H]2CCCNC2)c(Cl)c1.

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

The InChIKey is CGGPYAPCCOXLQQ-AKXSYCBVSA-N. The full InChI is InChI=1S/C67H71Cl3N12O9/c1-65(2)57(87-5)54(78-89-65)41-17-23-44(24-18-41)63(85)81(48-12-8-28-72-37-48)60-51(69)31-39(34-75-60)33-66(3)58(88-6)55(79-90-66)42-19-25-45(26-20-42)64(86)82(49-13-9-29-73-38-49)61-52(70)32-46(35-76-61)67(4)56(83)53(77-91-67)40-15-21-43(22-16-40)62(84)80(47-11-7-27-71-36-47)59-50(68)14-10-30-74-59/h10,14-26,30-32,34-35,47-49,57-58,71-73H,7-9,11-13,27-29,33,36-38H2,1-6H3/t47-,48-,49-,57-,58?,66?,67?/m1/s1.

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

N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 1294.74 g/mol, XLogP of 9.53, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 146279913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).