1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C107H124F6N26O16S5 — CID 159911035

IUPAC1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cc[nH]c(=O)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnc(N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncc(F)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.Cc1cnccc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/2C22H26FN5O3S.C21H23F2N5O3S.C21H25FN6O3S.C21H24FN5O4S/c1-13(2)18-10-16(23)11-19(17-6-8-24-12-15(17)5)21(18)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-13(2)18-11-17(23)12-19(16-6-8-24-15(5)10-16)21(18)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-12(2)17-8-15(22)9-18(14-7-16(23)11-24-10-14)20(17)25-21(29)27-32(30,31)19-5-6-28(26-19)13(3)4;1-12(2)16-10-15(22)11-17(14-5-7-24-18(23)9-14)20(16)25-21(29)27-32(30,31)19-6-8-28(26-19)13(3)4;1-12(2)16-10-15(22)11-17(14-5-7-23-18(28)9-14)20(16)24-21(29)26-32(30,31)19-6-8-27(25-19)13(3)4/h2*6-14H,1-5H3,(H2,25,27,29);5-13H,1-4H3,(H2,25,27,29);5-13H,1-4H3,(H2,23,24)(H2,25,27,29);5-13H,1-4H3,(H,23,28)(H2,24,26,29)
InChIKeyNXENIRWDSPUSQX-UHFFFAOYSA-N
MW2304.66 g/mol
LogP21.13
Rot. Bonds30

About 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 159911035) has the molecular formula C107H124F6N26O16S5 and a molecular weight of 2304.66 g/mol. Its IUPAC name is 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID159911035
Molecular FormulaC107H124F6N26O16S5
Molecular Weight2304.66 g/mol
Exact Mass2302.82
IUPAC Name1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cc[nH]c(=O)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnc(N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncc(F)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.Cc1cnccc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/2C22H26FN5O3S.C21H23F2N5O3S.C21H25FN6O3S.C21H24FN5O4S/c1-13(2)18-10-16(23)11-19(17-6-8-24-12-15(17)5)21(18)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-13(2)18-11-17(23)12-19(16-6-8-24-15(5)10-16)21(18)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-12(2)17-8-15(22)9-18(14-7-16(23)11-24-10-14)20(17)25-21(29)27-32(30,31)19-5-6-28(26-19)13(3)4;1-12(2)16-10-15(22)11-17(14-5-7-24-18(23)9-14)20(16)25-21(29)27-32(30,31)19-6-8-28(26-19)13(3)4;1-12(2)16-10-15(22)11-17(14-5-7-23-18(28)9-14)20(16)24-21(29)26-32(30,31)19-6-8-27(25-19)13(3)4/h2*6-14H,1-5H3,(H2,25,27,29);5-13H,1-4H3,(H2,25,27,29);5-13H,1-4H3,(H2,23,24)(H2,25,27,29);5-13H,1-4H3,(H,23,28)(H2,24,26,29)
InChIKeyNXENIRWDSPUSQX-UHFFFAOYSA-N
XLogP21.13
TPSA575.89 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.66
LogP ≤ 521.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
CID 157179879
1-[2-(2-Cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-propan-2-yl-6-[2-(trifluoromethyl)-4-pyridinyl]phenyl]urea;1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 158938543
N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide
CID 159556961
1-[2-(2-Cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[4-fluoro-2-propan-2-yl-6-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 160050088
N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-piperidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide
CID 162252713
3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 163487334
(2S,4R)-N-[[4-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)pyrazol-1-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2R,3S)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 163905215
N-cyclopentyl-5-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyrimidin-2-amine;N-[4-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(6-oxo-1-propyl-3-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;5-[4-[6-(propan-2-ylamino)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;N-[4-[1-(3-propylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methanesulfonamide
CID 168428684
N-cyclopropyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide;3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(isocyanomethyl)-N,1-dimethylpyrazole-5-carboxamide;1-[2,6-di(propan-2-yl)phenyl]-3-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
CID 157347311
5-[(Dimethylamino)methyl]-1-propan-2-ylpyrazole-3-sulfonamide;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;3-(5-fluoro-2-isocyanato-3-propan-2-ylphenyl)pyridine;4-fluoro-2-propan-2-yl-6-pyridin-3-ylaniline
CID 157392171
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonylacetamide;N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
CID 157479929
1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 157606000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 159911035) is 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)c1cc(F)cc(-c2cc[nH]c(=O)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnc(N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncc(F)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.Cc1cnccc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is NXENIRWDSPUSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26FN5O3S.C21H23F2N5O3S.C21H25FN6O3S.C21H24FN5O4S/c1-13(2)18-10-16(23)11-19(17-6-8-24-12-15(17)5)21(18)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-13(2)18-11-17(23)12-19(16-6-8-24-15(5)10-16)21(18)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-12(2)17-8-15(22)9-18(14-7-16(23)11-24-10-14)20(17)25-21(29)27-32(30,31)19-5-6-28(26-19)13(3)4;1-12(2)16-10-15(22)11-17(14-5-7-24-18(23)9-14)20(16)25-21(29)27-32(30,31)19-6-8-28(26-19)13(3)4;1-12(2)16-10-15(22)11-17(14-5-7-23-18(28)9-14)20(16)24-21(29)26-32(30,31)19-6-8-27(25-19)13(3)4/h2*6-14H,1-5H3,(H2,25,27,29);5-13H,1-4H3,(H2,25,27,29);5-13H,1-4H3,(H2,23,24)(H2,25,27,29);5-13H,1-4H3,(H,23,28)(H2,24,26,29).
What are the key properties of 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 2304.66 g/mol, XLogP of 21.13, 30 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 159911035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).