[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone

C22H25F3N4O4S — CID 141097219

IUPAC[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25F3N4O4S/c1-16-13-29(18-2-4-19(5-3-18)34(31,32)22(23,24)25)15-28(16)14-17-6-7-26-12-20(17)21(30)27-8-10-33-11-9-27/h2-7,12,16H,8-11,13-15H2,1H3
InChIKeyLRXORVJGFDCJII-UHFFFAOYSA-N
MW498.53 g/mol
LogP2.52
Rot. Bonds5

About [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone

[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 141097219) has the molecular formula C22H25F3N4O4S and a molecular weight of 498.53 g/mol. Its IUPAC name is [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID141097219
Molecular FormulaC22H25F3N4O4S
Molecular Weight498.53 g/mol
Exact Mass498.15
IUPAC Name[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25F3N4O4S/c1-16-13-29(18-2-4-19(5-3-18)34(31,32)22(23,24)25)15-28(16)14-17-6-7-26-12-20(17)21(30)27-8-10-33-11-9-27/h2-7,12,16H,8-11,13-15H2,1H3
InChIKeyLRXORVJGFDCJII-UHFFFAOYSA-N
XLogP2.52
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-(methylsulfonyl)-2-morpholinophenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
CID 53325155
6-(4-Methylphenyl)-7-{[4-(morpholine-4-sulfonyl)phenyl]amino}-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 23604338
(5-Methylsulfonyl-2-morpholin-4-ylphenyl)-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 11179518
(5-Methanesulfonyl-2-morpholin-4-yl-phenyl)-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-methanone
CID 11431971
[4-[3-Fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone
CID 11443733
(5-Methylsulfonyl-2-morpholin-4-ylphenyl)-[4-[6-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]methanone
CID 11488879
(5-Methylsulfonyl-2-morpholin-4-ylphenyl)-[6-(trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]methanone
CID 57753568
[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(6-morpholin-4-ylpyridin-3-yl)methanone
CID 59161372
(4-methyl-6-morpholin-4-ylpyridin-3-yl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 59161399
4-methyl-N-(4-methylsulfonylphenyl)-1-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807811
(4-methyl-6-morpholin-4-ylpyridin-3-yl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 67028580
N-[4-[[5-methyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridin-3-yl]morpholine-4-sulfonamide
CID 68445508

Frequently Asked Questions

What is the IUPAC name of [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 141097219) is [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone is CC1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CN1Cc1ccncc1C(=O)N1CCOCC1.
What is the InChIKey of [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is LRXORVJGFDCJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4S/c1-16-13-29(18-2-4-19(5-3-18)34(31,32)22(23,24)25)15-28(16)14-17-6-7-26-12-20(17)21(30)27-8-10-33-11-9-27/h2-7,12,16H,8-11,13-15H2,1H3.
What are the key properties of [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone?
[4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 498.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141097219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).