carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten

C122H127ClN25O11S7W- — CID 157093127

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten (PubChem CID 157093127) has the molecular formula C122H127ClN25O11S7W- and a molecular weight of 2563.28 g/mol. Its IUPAC name is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten.

Molecular Properties

• Compound Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten
• PubChem CID: 157093127
• Molecular Formula: C122H127ClN25O11S7W-
• Molecular Weight: 2563.28 g/mol
• Exact Mass: 2560.74
• IUPAC Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten
• SMILES: C.C.C.C.CSc1nc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2ccnn2C)n1.CSc1nc(Cl)cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc(-c2ccnn2C)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(S(C)=O)n4)cccc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C28H28N6O3S.C24H21N5O3S2.C24H21N5O2S2.C21H22N6O.C20H16ClN3O2S2.4CH4.CH3.W/c1-19-7-9-21(10-8-19)38(35,36)34-14-12-23-22(5-4-6-26(23)34)24-17-25(27-11-13-29-32(27)3)31-28(30-24)33-15-16-37-18-20(33)2;1-16-7-9-17(10-8-16)34(31,32)29-14-12-19-18(5-4-6-22(19)29)20-15-21(23-11-13-25-28(23)2)27-24(26-20)33(3)30;1-16-7-9-17(10-8-16)33(30,31)29-14-12-19-18(5-4-6-22(19)29)20-15-21(27-24(26-20)32-3)23-11-13-25-28(23)2;1-14-13-28-11-10-27(14)21-24-18(12-19(25-21)20-7-9-23-26(20)2)15-4-3-5-17-16(15)6-8-22-17;1-13-6-8-14(9-7-13)28(25,26)24-11-10-16-15(4-3-5-18(16)24)17-12-19(21)23-20(22-17)27-2;;;;;;/h4-14,17,20H,15-16,18H2,1-3H3;4-15H,1-3H3;4-15H,1-3H3;3-9,12,14,22H,10-11,13H2,1-2H3;3-12H,1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t20-;;;14-;;;;;;;/m1..1......./s1
• InChIKey: BCXVDDHFOUIZMQ-MCWRMZSHSA-N
• XLogP: 24.08
• TPSA: 414.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2563.28
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten?

The IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten (CID 157093127) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten.

What is the SMILES notation for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten?

The canonical SMILES for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten is C.C.C.C.CSc1nc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2ccnn2C)n1.CSc1nc(Cl)cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc(-c2ccnn2C)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(S(C)=O)n4)cccc32)cc1.[CH3-].[W].

What is the InChIKey of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten?

The InChIKey is BCXVDDHFOUIZMQ-MCWRMZSHSA-N. The full InChI is InChI=1S/C28H28N6O3S.C24H21N5O3S2.C24H21N5O2S2.C21H22N6O.C20H16ClN3O2S2.4CH4.CH3.W/c1-19-7-9-21(10-8-19)38(35,36)34-14-12-23-22(5-4-6-26(23)34)24-17-25(27-11-13-29-32(27)3)31-28(30-24)33-15-16-37-18-20(33)2;1-16-7-9-17(10-8-16)34(31,32)29-14-12-19-18(5-4-6-22(19)29)20-15-21(23-11-13-25-28(23)2)27-24(26-20)33(3)30;1-16-7-9-17(10-8-16)33(30,31)29-14-12-19-18(5-4-6-22(19)29)20-15-21(27-24(26-20)32-3)23-11-13-25-28(23)2;1-14-13-28-11-10-27(14)21-24-18(12-19(25-21)20-7-9-23-26(20)2)15-4-3-5-17-16(15)6-8-22-17;1-13-6-8-14(9-7-13)28(25,26)24-11-10-16-15(4-3-5-18(16)24)17-12-19(21)23-20(22-17)27-2;;;;;;/h4-14,17,20H,15-16,18H2,1-3H3;4-15H,1-3H3;4-15H,1-3H3;3-9,12,14,22H,10-11,13H2,1-2H3;3-12H,1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t20-;;;14-;;;;;;;/m1..1......./s1.

What are the key properties of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten?

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten has a molecular weight of 2563.28 g/mol, XLogP of 24.08, 22 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten is sourced from PubChem (CID 157093127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).