1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C107H124ClF5N26O17S5 — CID 157309704

IUPAC1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cncc(Cl)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.COc1ccc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cn1.COc1cncc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c1.Cc1ccncc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/2C22H26FN5O4S.C22H26FN5O3S.C21H23ClFN5O3S.C20H23FN6O3S/c1-13(2)18-9-16(23)10-19(15-8-17(32-5)12-24-11-15)21(18)25-22(29)27-33(30,31)20-6-7-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(15-6-7-19(32-5)24-12-15)21(17)25-22(29)27-33(30,31)20-8-9-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(19-12-24-8-6-15(19)5)21(17)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-12(2)17-8-16(23)9-18(14-7-15(22)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)16-7-15(21)8-17(14-9-22-11-23-10-14)19(16)24-20(28)26-31(29,30)18-5-6-27(25-18)13(3)4/h2*6-14H,1-5H3,(H2,25,27,29);6-14H,1-5H3,(H2,25,27,29);5-13H,1-4H3,(H2,25,27,29);5-13H,1-4H3,(H2,24,26,28)
InChIKeyBCWYGKWHFWRUKX-UHFFFAOYSA-N
MW2337.11 g/mol
LogP21.87
Rot. Bonds32

About 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 157309704) has the molecular formula C107H124ClF5N26O17S5 and a molecular weight of 2337.11 g/mol. Its IUPAC name is 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID157309704
Molecular FormulaC107H124ClF5N26O17S5
Molecular Weight2337.11 g/mol
Exact Mass2334.79
IUPAC Name1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cncc(Cl)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.COc1ccc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cn1.COc1cncc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c1.Cc1ccncc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/2C22H26FN5O4S.C22H26FN5O3S.C21H23ClFN5O3S.C20H23FN6O3S/c1-13(2)18-9-16(23)10-19(15-8-17(32-5)12-24-11-15)21(18)25-22(29)27-33(30,31)20-6-7-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(15-6-7-19(32-5)24-12-15)21(17)25-22(29)27-33(30,31)20-8-9-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(19-12-24-8-6-15(19)5)21(17)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-12(2)17-8-16(23)9-18(14-7-15(22)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)16-7-15(21)8-17(14-9-22-11-23-10-14)19(16)24-20(28)26-31(29,30)18-5-6-27(25-18)13(3)4/h2*6-14H,1-5H3,(H2,25,27,29);6-14H,1-5H3,(H2,25,27,29);5-13H,1-4H3,(H2,25,27,29);5-13H,1-4H3,(H2,24,26,28)
InChIKeyBCWYGKWHFWRUKX-UHFFFAOYSA-N
XLogP21.87
TPSA561.25 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002337.11
LogP ≤ 521.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-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-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 157309704) is 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)c1cc(F)cc(-c2cncc(Cl)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.COc1ccc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cn1.COc1cncc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)c1.Cc1ccncc1-c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is BCWYGKWHFWRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26FN5O4S.C22H26FN5O3S.C21H23ClFN5O3S.C20H23FN6O3S/c1-13(2)18-9-16(23)10-19(15-8-17(32-5)12-24-11-15)21(18)25-22(29)27-33(30,31)20-6-7-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(15-6-7-19(32-5)24-12-15)21(17)25-22(29)27-33(30,31)20-8-9-28(26-20)14(3)4;1-13(2)17-10-16(23)11-18(19-12-24-8-6-15(19)5)21(17)25-22(29)27-32(30,31)20-7-9-28(26-20)14(3)4;1-12(2)17-8-16(23)9-18(14-7-15(22)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)16-7-15(21)8-17(14-9-22-11-23-10-14)19(16)24-20(28)26-31(29,30)18-5-6-27(25-18)13(3)4/h2*6-14H,1-5H3,(H2,25,27,29);6-14H,1-5H3,(H2,25,27,29);5-13H,1-4H3,(H2,25,27,29);5-13H,1-4H3,(H2,24,26,28).
What are the key properties of 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 2337.11 g/mol, XLogP of 21.87, 32 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-3-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(4-methyl-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 157309704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).