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

C48H54F6N8O4 — CID 142280105

IUPAC5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(c3nccn3C)CC2)c(-c2cccc(OC(F)(F)F)c2)[nH]1.Cc1cc(C(=O)NCC2CCC(c3nccn3C)CC2)c(-c2ccccc2OC(F)(F)F)[nH]1
InChIInChI=1S/2C24H27F3N4O2/c1-15-12-20(21(30-15)18-4-3-5-19(13-18)33-24(25,26)27)23(32)29-14-16-6-8-17(9-7-16)22-28-10-11-31(22)2;1-15-13-19(21(30-15)18-5-3-4-6-20(18)33-24(25,26)27)23(32)29-14-16-7-9-17(10-8-16)22-28-11-12-31(22)2/h3-5,10-13,16-17,30H,6-9,14H2,1-2H3,(H,29,32);3-6,11-13,16-17,30H,7-10,14H2,1-2H3,(H,29,32)
InChIKeyOVYMIDFPVXHDQD-UHFFFAOYSA-N
MW921.00 g/mol
LogP10.65
Rot. Bonds12

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

5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 142280105) has the molecular formula C48H54F6N8O4 and a molecular weight of 921.00 g/mol. Its IUPAC name is 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID142280105
Molecular FormulaC48H54F6N8O4
Molecular Weight921.00 g/mol
Exact Mass920.42
IUPAC Name5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(c3nccn3C)CC2)c(-c2cccc(OC(F)(F)F)c2)[nH]1.Cc1cc(C(=O)NCC2CCC(c3nccn3C)CC2)c(-c2ccccc2OC(F)(F)F)[nH]1
InChIInChI=1S/2C24H27F3N4O2/c1-15-12-20(21(30-15)18-4-3-5-19(13-18)33-24(25,26)27)23(32)29-14-16-6-8-17(9-7-16)22-28-10-11-31(22)2;1-15-13-19(21(30-15)18-5-3-4-6-20(18)33-24(25,26)27)23(32)29-14-16-7-9-17(10-8-16)22-28-11-12-31(22)2/h3-5,10-13,16-17,30H,6-9,14H2,1-2H3,(H,29,32);3-6,11-13,16-17,30H,7-10,14H2,1-2H3,(H,29,32)
InChIKeyOVYMIDFPVXHDQD-UHFFFAOYSA-N
XLogP10.65
TPSA143.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.00
LogP ≤ 510.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

3-[2-(1H-imidazol-5-yl)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 44533868
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 11577724
2-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-2-[5-[4-[3-[2-[(2S)-1-[2-(3,5-difluoro-4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 58079234
2-[2-(trifluoromethoxy)phenyl]-1-[(2S)-2-[5-[4-[3-[2-[(2S)-1-[2-[2-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 58079235
[(2S)-2-[5-[4-[3-[2-[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 58079246
2-fluoro-N-[2-[3-[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]ethyl]-5-(trifluoromethyl)benzamide
CID 59685000
methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[[6-[(2R)-2-methyl-4-[(2S)-2-methylpyrrolidine-2-carbonyl]piperazin-1-yl]pyridin-3-yl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 67495781
methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[[6-[(2R)-2-methyl-4-[(2R)-2-methylpyrrolidine-2-carbonyl]piperazin-1-yl]-3-pyridinyl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 67495790
methyl N-[(2S)-3-methyl-1-[2-[5-[4-[4-[[6-[2-methyl-4-(2-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 67495794
methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[[6-[(2R)-2-methylpiperazin-1-yl]pyridin-3-yl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 67495996
methyl N-[(2S)-3-methyl-1-[2-[5-[4-[4-[[6-(2-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 67496000
methyl N-[3-methyl-1-[(2S)-2-[5-[4-[4-[[6-[(2S)-2-methylpiperazin-1-yl]-3-pyridinyl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 67517496

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide (CID 142280105) is 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCC(c3nccn3C)CC2)c(-c2cccc(OC(F)(F)F)c2)[nH]1.Cc1cc(C(=O)NCC2CCC(c3nccn3C)CC2)c(-c2ccccc2OC(F)(F)F)[nH]1.
What is the InChIKey of 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is OVYMIDFPVXHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27F3N4O2/c1-15-12-20(21(30-15)18-4-3-5-19(13-18)33-24(25,26)27)23(32)29-14-16-6-8-17(9-7-16)22-28-10-11-31(22)2;1-15-13-19(21(30-15)18-5-3-4-6-20(18)33-24(25,26)27)23(32)29-14-16-7-9-17(10-8-16)22-28-11-12-31(22)2/h3-5,10-13,16-17,30H,6-9,14H2,1-2H3,(H,29,32);3-6,11-13,16-17,30H,7-10,14H2,1-2H3,(H,29,32).
What are the key properties of 5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide?
5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 921.00 g/mol, XLogP of 10.65, 12 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-methylimidazol-2-yl)cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide;5-methyl-N-[[4-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142280105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).