2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol

C22H25FN4O2S — CID 68561498

IUPAC2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2O)c1
InChIInChI=1S/C22H25FN4O2S/c1-27-21(20(26-22(27)30(2)29)14-7-9-16(23)10-8-14)15-11-12-24-19(13-15)25-17-5-3-4-6-18(17)28/h7-13,17-18,28H,3-6H2,1-2H3,(H,24,25)
InChIKeyVSJQEGUUNHHRMU-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.74
Rot. Bonds5

About 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol

2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 68561498) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID68561498
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC Name2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2O)c1
InChIInChI=1S/C22H25FN4O2S/c1-27-21(20(26-22(27)30(2)29)14-7-9-16(23)10-8-14)15-11-12-24-19(13-15)25-17-5-3-4-6-18(17)28/h7-13,17-18,28H,3-6H2,1-2H3,(H,24,25)
InChIKeyVSJQEGUUNHHRMU-UHFFFAOYSA-N
XLogP3.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11669080
N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11502486
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11691317
N-(1-benzylpiperidin-4-yl)-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 24810620
2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 146599020
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 58541830
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 90666078
1-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]propan-2-ol
CID 44568225
N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11732208
4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 24810307
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol (CID 68561498) is 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol is Cn1c(S(C)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2O)c1.
What is the InChIKey of 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is VSJQEGUUNHHRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-27-21(20(26-22(27)30(2)29)14-7-9-16(23)10-8-14)15-11-12-24-19(13-15)25-17-5-3-4-6-18(17)28/h7-13,17-18,28H,3-6H2,1-2H3,(H,24,25).
What are the key properties of 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 428.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 68561498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).