N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine

C22H21F5N4O2S — CID 69057317

IUPACN-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine
SMILESO=S(=O)(CC(F)(F)F)c1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C22H21F5N4O2S/c23-14-6-7-16(17(24)11-14)20-19(30-21(31-20)34(32,33)12-22(25,26)27)13-8-9-28-18(10-13)29-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,28,29)(H,30,31)
InChIKeyXWOAGOHHMRVAFI-UHFFFAOYSA-N
MW500.49 g/mol
LogP5.50
Rot. Bonds6

About N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine

N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine (PubChem CID 69057317) has the molecular formula C22H21F5N4O2S and a molecular weight of 500.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine
PubChem CID69057317
Molecular FormulaC22H21F5N4O2S
Molecular Weight500.49 g/mol
Exact Mass500.13
IUPAC NameN-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine
SMILESO=S(=O)(CC(F)(F)F)c1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C22H21F5N4O2S/c23-14-6-7-16(17(24)11-14)20-19(30-21(31-20)34(32,33)12-22(25,26)27)13-8-9-28-18(10-13)29-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,28,29)(H,30,31)
InChIKeyXWOAGOHHMRVAFI-UHFFFAOYSA-N
XLogP5.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.49
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
CID 67088672
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CID 11669080
N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11502486
4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 154699724
N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 58229715
4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
CID 46837667
4-[4-[2-chloro-4-(trifluoromethylsulfonylmethyl)phenyl]-1,3-thiazol-2-yl]-N-cyclopentylpyridin-2-amine
CID 159150920
(1R)-2-N-[4-(2,4-difluorophenyl)-2-pyridinyl]-1-N-[1-[4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 144513198
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11691317
4-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-3-pyridinyl]benzonitrile
CID 67088806
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine
CID 24898100

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine (CID 69057317) is N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine is O=S(=O)(CC(F)(F)F)c1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine?
The InChIKey is XWOAGOHHMRVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N4O2S/c23-14-6-7-16(17(24)11-14)20-19(30-21(31-20)34(32,33)12-22(25,26)27)13-8-9-28-18(10-13)29-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,28,29)(H,30,31).
What are the key properties of N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine?
N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine has a molecular weight of 500.49 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfonyl)-1H-imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 69057317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).