N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide

C93H108ClFN14O9 — CID 123648790

About N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide (PubChem CID 123648790) has the molecular formula C93H108ClFN14O9 and a molecular weight of 1620.43 g/mol. Its IUPAC name is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
• PubChem CID: 123648790
• Molecular Formula: C93H108ClFN14O9
• Molecular Weight: 1620.43 g/mol
• Exact Mass: 1618.81
• IUPAC Name: N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccnc(C#N)c3)CC2c2ccc3c(c2)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)n3C(C)C2CCN(Cc3cccc(F)c3)CC2c2ccc3c(c2)c(C(=O)NCc2c(Cl)cc(C)[nH]c2=O)c(C)n3C(C)C2CCN(CC(C)(C)OC)CC2)c2ccccc12
• InChI: InChI=1S/C93H108ClFN14O9/c1-52-36-78(94)73(87(110)101-52)44-98-91(114)85-59(8)107(55(4)63-27-32-104(33-28-63)51-93(10,11)118-14)80-24-22-64(41-71(80)85)76-49-105(47-61-18-17-19-66(95)39-61)34-29-69(76)57(6)109-60(9)86(92(115)100-46-75-83(117-13)38-54(3)103-89(75)112)72-42-65(23-25-81(72)109)77-50-106(48-62-26-31-97-67(40-62)43-96)35-30-68(77)56(5)108-58(7)84(70-20-15-16-21-79(70)108)90(113)99-45-74-82(116-12)37-53(2)102-88(74)111/h15-26,31,36-42,55-57,63,68-69,76-77H,27-30,32-35,44-51H2,1-14H3,(H,98,114)(H,99,113)(H,100,115)(H,101,110)(H,102,111)(H,103,112)
• InChIKey: SCPFZNRWSIKGNU-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 274.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1620.43
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide (CID 123648790) is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide.

What is the SMILES notation for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The canonical SMILES for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(Cc3ccnc(C#N)c3)CC2c2ccc3c(c2)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)n3C(C)C2CCN(Cc3cccc(F)c3)CC2c2ccc3c(c2)c(C(=O)NCc2c(Cl)cc(C)[nH]c2=O)c(C)n3C(C)C2CCN(CC(C)(C)OC)CC2)c2ccccc12.

What is the InChIKey of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The InChIKey is SCPFZNRWSIKGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H108ClFN14O9/c1-52-36-78(94)73(87(110)101-52)44-98-91(114)85-59(8)107(55(4)63-27-32-104(33-28-63)51-93(10,11)118-14)80-24-22-64(41-71(80)85)76-49-105(47-61-18-17-19-66(95)39-61)34-29-69(76)57(6)109-60(9)86(92(115)100-46-75-83(117-13)38-54(3)103-89(75)112)72-42-65(23-25-81(72)109)77-50-106(48-62-26-31-97-67(40-62)43-96)35-30-68(77)56(5)108-58(7)84(70-20-15-16-21-79(70)108)90(113)99-45-74-82(116-12)37-53(2)102-88(74)111/h15-26,31,36-42,55-57,63,68-69,76-77H,27-30,32-35,44-51H2,1-14H3,(H,98,114)(H,99,113)(H,100,115)(H,101,110)(H,102,111)(H,103,112).

What are the key properties of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide has a molecular weight of 1620.43 g/mol, XLogP of 14.76, 26 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[1-[5-[1-[(2-cyano-4-pyridinyl)methyl]-4-[1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-3-yl]-3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1-[1-[1-(2-methoxy-2-methylpropyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 123648790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).