5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide

C48H52F6N8O4 — CID 142280274

About 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide

5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 142280274) has the molecular formula C48H52F6N8O4 and a molecular weight of 918.98 g/mol. Its IUPAC name is 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 142280274
• Molecular Formula: C48H52F6N8O4
• Molecular Weight: 918.98 g/mol
• Exact Mass: 918.40
• IUPAC Name: 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)NCC2CCC(c3nccn3CCc3cc(C(=O)NCC4CCC(c5nccn5C)CC4)c(-c4cccc(OC(F)(F)F)c4)[nH]3)CC2)c(-c2ccccc2OC(F)(F)F)[nH]1
• InChI: InChI=1S/C48H52F6N8O4/c1-29-24-38(42(59-29)37-8-3-4-9-40(37)66-48(52,53)54)45(63)57-27-31-12-16-33(17-13-31)44-56-20-23-62(44)21-18-35-26-39(41(60-35)34-6-5-7-36(25-34)65-47(49,50)51)46(64)58-28-30-10-14-32(15-11-30)43-55-19-22-61(43)2/h3-9,19-20,22-26,30-33,59-60H,10-18,21,27-28H2,1-2H3,(H,57,63)(H,58,64)
• InChIKey: QJNNWINRLPBMDS-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 143.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.98
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide (CID 142280274) is 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCC(c3nccn3CCc3cc(C(=O)NCC4CCC(c5nccn5C)CC4)c(-c4cccc(OC(F)(F)F)c4)[nH]3)CC2)c(-c2ccccc2OC(F)(F)F)[nH]1.

What is the InChIKey of 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?

The InChIKey is QJNNWINRLPBMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52F6N8O4/c1-29-24-38(42(59-29)37-8-3-4-9-40(37)66-48(52,53)54)45(63)57-27-31-12-16-33(17-13-31)44-56-20-23-62(44)21-18-35-26-39(41(60-35)34-6-5-7-36(25-34)65-47(49,50)51)46(64)58-28-30-10-14-32(15-11-30)43-55-19-22-61(43)2/h3-9,19-20,22-26,30-33,59-60H,10-18,21,27-28H2,1-2H3,(H,57,63)(H,58,64).

What are the key properties of 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?

5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 918.98 g/mol, XLogP of 10.36, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[4-[1-[2-[4-[[4-(1-methylimidazol-2-yl)cyclohexyl]methylcarbamoyl]-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl]ethyl]imidazol-2-yl]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142280274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).