carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten

C126H135ClN25O12S7W- — CID 161024991

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten (PubChem CID 161024991) has the molecular formula C126H135ClN25O12S7W- and a molecular weight of 2635.39 g/mol. Its IUPAC name is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten.

Molecular Properties

• Compound Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten
• PubChem CID: 161024991
• Molecular Formula: C126H135ClN25O12S7W-
• Molecular Weight: 2635.39 g/mol
• Exact Mass: 2632.80
• IUPAC Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten
• SMILES: C.C.C.C.CSc1nc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2c(C)cnn2C)n1.CSc1nc(Cl)cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(S(C)(=O)=O)n4)cccc32)cc1.Cc1cnn(C)c1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.[CH3-].[W]
• InChI: InChI=1S/C29H30N6O3S.C25H23N5O4S2.C25H23N5O2S2.C22H24N6O.C20H16ClN3O2S2.4CH4.CH3.W/c1-19-8-10-22(11-9-19)39(36,37)35-13-12-24-23(6-5-7-27(24)35)25-16-26(28-20(2)17-30-33(28)4)32-29(31-25)34-14-15-38-18-21(34)3;1-16-8-10-18(11-9-16)36(33,34)30-13-12-20-19(6-5-7-23(20)30)21-14-22(24-17(2)15-26-29(24)3)28-25(27-21)35(4,31)32;1-16-8-10-18(11-9-16)34(31,32)30-13-12-20-19(6-5-7-23(20)30)21-14-22(28-25(27-21)33-4)24-17(2)15-26-29(24)3;1-14-12-24-27(3)21(14)20-11-19(16-5-4-6-18-17(16)7-8-23-18)25-22(26-20)28-9-10-29-13-15(28)2;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;;;;;;/h5-13,16-17,21H,14-15,18H2,1-4H3;5-15H,1-4H3;5-15H,1-4H3;4-8,11-12,15,23H,9-10,13H2,1-3H3;3-12H,1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t21-;;;15-;;;;;;;/m1..1......./s1
• InChIKey: DGZHHHURHNJLEB-BHTQJCBGSA-N
• XLogP: 24.98
• TPSA: 431.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.39
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

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-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten?

The IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten (CID 161024991) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten.

What is the SMILES notation for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten?

The canonical SMILES for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten is C.C.C.C.CSc1nc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2c(C)cnn2C)n1.CSc1nc(Cl)cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(N5CCOC[C@H]5C)n4)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(S(C)(=O)=O)n4)cccc32)cc1.Cc1cnn(C)c1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.[CH3-].[W].

What is the InChIKey of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten?

The InChIKey is DGZHHHURHNJLEB-BHTQJCBGSA-N. The full InChI is InChI=1S/C29H30N6O3S.C25H23N5O4S2.C25H23N5O2S2.C22H24N6O.C20H16ClN3O2S2.4CH4.CH3.W/c1-19-8-10-22(11-9-19)39(36,37)35-13-12-24-23(6-5-7-27(24)35)25-16-26(28-20(2)17-30-33(28)4)32-29(31-25)34-14-15-38-18-21(34)3;1-16-8-10-18(11-9-16)36(33,34)30-13-12-20-19(6-5-7-23(20)30)21-14-22(24-17(2)15-26-29(24)3)28-25(27-21)35(4,31)32;1-16-8-10-18(11-9-16)34(31,32)30-13-12-20-19(6-5-7-23(20)30)21-14-22(28-25(27-21)33-4)24-17(2)15-26-29(24)3;1-14-12-24-27(3)21(14)20-11-19(16-5-4-6-18-17(16)7-8-23-18)25-22(26-20)28-9-10-29-13-15(28)2;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;;;;;;/h5-13,16-17,21H,14-15,18H2,1-4H3;5-15H,1-4H3;5-15H,1-4H3;4-8,11-12,15,23H,9-10,13H2,1-3H3;3-12H,1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t21-;;;15-;;;;;;;/m1..1......./s1.

What are the key properties of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten?

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten has a molecular weight of 2635.39 g/mol, XLogP of 24.98, 22 rotatable bonds, 1 hydrogen bond donors, and 38 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-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten is sourced from PubChem (CID 161024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).