N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine

C20H19F4N5O2S — CID 90406984

IUPACN-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3cncc(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-17(13-2-4-15(21)5-3-13)18(10-29)27-16-6-14(7-25-8-16)20(22,23)24/h2-8,11-12,17-18,27H,9-10H2,1H3
InChIKeyWYRLSEFOYJPMSO-UHFFFAOYSA-N
MW469.46 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine

N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 90406984) has the molecular formula C20H19F4N5O2S and a molecular weight of 469.46 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine
PubChem CID90406984
Molecular FormulaC20H19F4N5O2S
Molecular Weight469.46 g/mol
Exact Mass469.12
IUPAC NameN-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3cncc(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-17(13-2-4-15(21)5-3-13)18(10-29)27-16-6-14(7-25-8-16)20(22,23)24/h2-8,11-12,17-18,27H,9-10H2,1H3
InChIKeyWYRLSEFOYJPMSO-UHFFFAOYSA-N
XLogP3.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-imidazole-4-sulfonamide
CID 16086180
US9656955, Example 652
CID 86295441
US9656955, Example 540
CID 86295651
US9656955, Example 351
CID 86295652
N-(2-((4-cyano-2-fluorophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-N-(cyclohexylmethyl)pyridine-2-sulfonamide
CID 49783195
2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
CID 58211295
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-2,3-dimethylimidazole-4-sulfonamide
CID 59177040
US9656955, Example 327
CID 86296289
3-[[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]amino]benzonitrile
CID 86296489
4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 90404317
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-4-phenylpyrrolidin-3-amine
CID 90404564

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine (CID 90406984) is N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine is Cn1cnc(S(=O)(=O)N2CC(Nc3cncc(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is WYRLSEFOYJPMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-17(13-2-4-15(21)5-3-13)18(10-29)27-16-6-14(7-25-8-16)20(22,23)24/h2-8,11-12,17-18,27H,9-10H2,1H3.
What are the key properties of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine?
N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 469.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 90406984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).