5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide

C22H25F3N4O3 — CID 121391556

IUPAC5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide
SMILESCC(O)(COC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1)C(F)(F)F
InChIInChI=1S/C22H25F3N4O3/c1-21(31,22(23,24)25)12-32-17-4-2-15(3-5-17)28-20(30)18-11-16(29-9-8-26-13-29)10-14-6-7-27-19(14)18/h6-11,13,15,17,27,31H,2-5,12H2,1H3,(H,28,30)
InChIKeyVVYSWZPDWQCBBF-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.72
Rot. Bonds6

About 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide

5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide (PubChem CID 121391556) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide
PubChem CID121391556
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC Name5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide
SMILESCC(O)(COC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1)C(F)(F)F
InChIInChI=1S/C22H25F3N4O3/c1-21(31,22(23,24)25)12-32-17-4-2-15(3-5-17)28-20(30)18-11-16(29-9-8-26-13-29)10-14-6-7-27-19(14)18/h6-11,13,15,17,27,31H,2-5,12H2,1H3,(H,28,30)
InChIKeyVVYSWZPDWQCBBF-UHFFFAOYSA-N
XLogP3.72
TPSA92.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
CID 130405298
5-imidazol-1-yl-N-[4-[(1,1,1-trifluoro-3-hydroxy-2-methylpropan-2-yl)amino]cyclohexyl]-1H-indole-7-carboxamide
CID 130405295
5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
CID 121379161
N-[4-[(2S)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[4-[(2R)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 162221230
[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
CID 165388326
6-imidazol-1-yl-N-[4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)amino]cyclohexyl]-3H-indene-4-carboxamide
CID 159791507
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
CID 156733686
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
CID 175222075
1-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-ylindole-7-carboxamide
CID 140809803
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397
N-[4-(2-hydroxy-3-methylbutoxy)cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 175222064
2-imidazol-1-yl-N-[4-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-imidazol-1-yl-N-[4-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158490945

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide (CID 121391556) is 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide is CC(O)(COC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1)C(F)(F)F.
What is the InChIKey of 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide?
The InChIKey is VVYSWZPDWQCBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-21(31,22(23,24)25)12-32-17-4-2-15(3-5-17)28-20(30)18-11-16(29-9-8-26-13-29)10-14-6-7-27-19(14)18/h6-11,13,15,17,27,31H,2-5,12H2,1H3,(H,28,30).
What are the key properties of 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide?
5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121391556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).