5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide

C22H29N5O3S — CID 121379161

IUPAC5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
SMILESC[C@H](CS(C)(=O)=O)NC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1
InChIInChI=1S/C22H29N5O3S/c1-15(13-31(2,29)30)25-17-3-5-18(6-4-17)26-22(28)20-12-19(27-10-9-23-14-27)11-16-7-8-24-21(16)20/h7-12,14-15,17-18,24-25H,3-6,13H2,1-2H3,(H,26,28)/t15-,17?,18?/m1/s1
InChIKeyGAAKBENRARZHHC-FAEJEUNOSA-N
MW443.57 g/mol
LogP2.42
Rot. Bonds7

About 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide

5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide (PubChem CID 121379161) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
PubChem CID121379161
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide
SMILESC[C@H](CS(C)(=O)=O)NC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1
InChIInChI=1S/C22H29N5O3S/c1-15(13-31(2,29)30)25-17-3-5-18(6-4-17)26-22(28)20-12-19(27-10-9-23-14-27)11-16-7-8-24-21(16)20/h7-12,14-15,17-18,24-25H,3-6,13H2,1-2H3,(H,26,28)/t15-,17?,18?/m1/s1
InChIKeyGAAKBENRARZHHC-FAEJEUNOSA-N
XLogP2.42
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]-1H-indole-7-carboxamide
CID 121391556
N-[4-(2-hydroxy-3-methylbutoxy)cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 175222064
[1-[5-imidazol-1-yl-7-[[4-(2-methoxyethoxy)cyclohexyl]carbamoyl]-1H-indol-2-yl]-2,2-dimethylpropyl] carbamate
CID 165388326
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-3-nitro-1H-indole-7-carboxamide
CID 156733686
2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598623
N-cyclohexyl-5-methyl-1H-indole-7-carboxamide
CID 137382767
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-1-(2-trimethylsilylethoxymethyl)indazole-7-carboxamide
CID 175222075
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
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide (CID 121379161) is 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide is C[C@H](CS(C)(=O)=O)NC1CCC(NC(=O)c2cc(-n3ccnc3)cc3cc[nH]c23)CC1.
What is the InChIKey of 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide?
The InChIKey is GAAKBENRARZHHC-FAEJEUNOSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-15(13-31(2,29)30)25-17-3-5-18(6-4-17)26-22(28)20-12-19(27-10-9-23-14-27)11-16-7-8-24-21(16)20/h7-12,14-15,17-18,24-25H,3-6,13H2,1-2H3,(H,26,28)/t15-,17?,18?/m1/s1.
What are the key properties of 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide?
5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-[[(2R)-1-methylsulfonylpropan-2-yl]amino]cyclohexyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121379161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).