1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C111H136F5N27O18S5 — CID 162230480

IUPAC1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(C2CCOCC2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CCc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1
InChIInChI=1S/C24H30FN5O4S.C23H28FN5O3S.C22H23FN6O3S.C22H30FN5O5S.C20H25FN6O3S/c1-14(2)19-12-18(25)13-20(17-7-9-26-21(11-17)34-16(5)6)23(19)27-24(31)29-35(32,33)22-8-10-30(28-22)15(3)4;1-6-18-11-16(7-9-25-18)20-13-17(24)12-19(14(2)3)22(20)26-23(30)28-33(31,32)21-8-10-29(27-21)15(4)5;1-13(2)18-10-16(23)11-19(15-5-7-25-17(9-15)12-24)21(18)26-22(30)28-33(31,32)20-6-8-29(27-20)14(3)4;1-13(2)16-10-15(23)11-17(14-6-8-33-9-7-14)20(16)24-22(30)26-34(31,32)19-12-18(28(5)25-19)21(29)27(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4/h7-16H,1-6H3,(H2,27,29,31);7-15H,6H2,1-5H3,(H2,26,28,30);5-11,13-14H,1-4H3,(H2,26,28,30);10-14H,6-9H2,1-5H3,(H2,24,26,30);6-13H,1-5H3,(H2,23,25,28)
InChIKeyZVIVDGYBHBKRSW-UHFFFAOYSA-N
MW2391.80 g/mol
LogP20.54
Rot. Bonds33

About 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 162230480) has the molecular formula C111H136F5N27O18S5 and a molecular weight of 2391.80 g/mol. Its IUPAC name is 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID162230480
Molecular FormulaC111H136F5N27O18S5
Molecular Weight2391.80 g/mol
Exact Mass2389.91
IUPAC Name1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(C2CCOCC2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CCc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1
InChIInChI=1S/C24H30FN5O4S.C23H28FN5O3S.C22H23FN6O3S.C22H30FN5O5S.C20H25FN6O3S/c1-14(2)19-12-18(25)13-20(17-7-9-26-21(11-17)34-16(5)6)23(19)27-24(31)29-35(32,33)22-8-10-30(28-22)15(3)4;1-6-18-11-16(7-9-25-18)20-13-17(24)12-19(14(2)3)22(20)26-23(30)28-33(31,32)21-8-10-29(27-21)15(4)5;1-13(2)18-10-16(23)11-19(15-5-7-25-17(9-15)12-24)21(18)26-22(30)28-33(31,32)20-6-8-29(27-20)14(3)4;1-13(2)16-10-15(23)11-17(14-6-8-33-9-7-14)20(16)24-22(30)26-34(31,32)19-12-18(28(5)25-19)21(29)27(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4/h7-16H,1-6H3,(H2,27,29,31);7-15H,6H2,1-5H3,(H2,26,28,30);5-11,13-14H,1-4H3,(H2,26,28,30);10-14H,6-9H2,1-5H3,(H2,24,26,30);6-13H,1-5H3,(H2,23,25,28)
InChIKeyZVIVDGYBHBKRSW-UHFFFAOYSA-N
XLogP20.54
TPSA584.50 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.80
LogP ≤ 520.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 162230480) is 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(C2CCOCC2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CCc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.
What is the InChIKey of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is ZVIVDGYBHBKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4S.C23H28FN5O3S.C22H23FN6O3S.C22H30FN5O5S.C20H25FN6O3S/c1-14(2)19-12-18(25)13-20(17-7-9-26-21(11-17)34-16(5)6)23(19)27-24(31)29-35(32,33)22-8-10-30(28-22)15(3)4;1-6-18-11-16(7-9-25-18)20-13-17(24)12-19(14(2)3)22(20)26-23(30)28-33(31,32)21-8-10-29(27-21)15(4)5;1-13(2)18-10-16(23)11-19(15-5-7-25-17(9-15)12-24)21(18)26-22(30)28-33(31,32)20-6-8-29(27-20)14(3)4;1-13(2)16-10-15(23)11-17(14-6-8-33-9-7-14)20(16)24-22(30)26-34(31,32)19-12-18(28(5)25-19)21(29)27(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4/h7-16H,1-6H3,(H2,27,29,31);7-15H,6H2,1-5H3,(H2,26,28,30);5-11,13-14H,1-4H3,(H2,26,28,30);10-14H,6-9H2,1-5H3,(H2,24,26,30);6-13H,1-5H3,(H2,23,25,28).
What are the key properties of 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 2391.80 g/mol, XLogP of 20.54, 33 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[2-(2-ethyl-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;3-[[4-fluoro-2-(oxan-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 162230480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).