N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine

C20H19F4N5O2S — CID 90404732

IUPACN-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3ccnc(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-14(21)5-3-13)17(10-29)27-15-6-7-25-18(8-15)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27)
InChIKeyNMIPKLPHFIEJBL-UHFFFAOYSA-N
MW469.46 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine

N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 90404732) 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]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID90404732
Molecular FormulaC20H19F4N5O2S
Molecular Weight469.46 g/mol
Exact Mass469.12
IUPAC NameN-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3ccnc(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-14(21)5-3-13)17(10-29)27-15-6-7-25-18(8-15)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27)
InChIKeyNMIPKLPHFIEJBL-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

Analyze N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine with MolForge

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Related Compounds

US9656955, Example 652
CID 86295441
US9656955, Example 540
CID 86295651
US9656955, Example 351
CID 86295652
N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-1-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-4-sulfonamide
CID 16086181
N-[4-[(1R,5S)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenyl-butyl]benzenesulfonamide
CID 50943793
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
N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404585

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine (CID 90404732) is N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine is Cn1cnc(S(=O)(=O)N2CC(Nc3ccnc(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]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is NMIPKLPHFIEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-14(21)5-3-13)17(10-29)27-15-6-7-25-18(8-15)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27).
What are the key properties of N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
N-[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-2-(trifluoromethyl)pyridin-4-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]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 90404732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).