carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten

C116H120ClN30O11S7W- — CID 159858720

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten (PubChem CID 159858720) has the molecular formula C116H120ClN30O11S7W- and a molecular weight of 2554.20 g/mol. Its IUPAC name is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten.

Molecular Properties

• Compound Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten
• PubChem CID: 159858720
• Molecular Formula: C116H120ClN30O11S7W-
• Molecular Weight: 2554.20 g/mol
• Exact Mass: 2551.70
• IUPAC Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten
• SMILES: C.C.C.CSc1nc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2ccnn2C)n1.CSc1nc(Cl)cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)cc(-c2ccnn2C)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(S(C)=O)n4)ccnc32)cc1.[CH3-].[H][H].[W]
• InChI: InChI=1S/C27H27N7O3S.C23H20N6O3S2.C23H20N6O2S2.C20H21N7O.C19H15ClN4O2S2.3CH4.CH3.W.H2/c1-18-4-6-20(7-5-18)38(35,36)34-13-10-22-21(8-11-28-26(22)34)23-16-24(25-9-12-29-32(25)3)31-27(30-23)33-14-15-37-17-19(33)2;1-15-4-6-16(7-5-15)34(31,32)29-13-10-18-17(8-11-24-22(18)29)19-14-20(21-9-12-25-28(21)2)27-23(26-19)33(3)30;1-15-4-6-16(7-5-15)33(30,31)29-13-10-18-17(8-11-24-22(18)29)19-14-20(27-23(26-19)32-3)21-9-12-25-28(21)2;1-13-12-28-10-9-27(13)20-24-16(11-17(25-20)18-5-8-23-26(18)2)14-3-6-21-19-15(14)4-7-22-19;1-12-3-5-13(6-4-12)28(25,26)24-10-8-15-14(7-9-21-18(15)24)16-11-17(20)23-19(22-16)27-2;;;;;;/h4-13,16,19H,14-15,17H2,1-3H3;4-14H,1-3H3;4-14H,1-3H3;3-8,11,13H,9-10,12H2,1-2H3,(H,21,22);3-11H,1-2H3;3*1H4;1H3;;1H/q;;;;;;;;-1;;/t19-;;;13-;;;;;;;/m1..1......./s1
• InChIKey: CXCRVKOPIBJUQZ-VSYGDCFKSA-N
• XLogP: 20.66
• TPSA: 478.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2554.20
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

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)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten?

The IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten (CID 159858720) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten.

What is the SMILES notation for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten?

The canonical SMILES for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten is C.C.C.CSc1nc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2ccnn2C)n1.CSc1nc(Cl)cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)cc(-c2ccnn2C)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5ccnn5C)nc(S(C)=O)n4)ccnc32)cc1.[CH3-].[H][H].[W].

What is the InChIKey of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten?

The InChIKey is CXCRVKOPIBJUQZ-VSYGDCFKSA-N. The full InChI is InChI=1S/C27H27N7O3S.C23H20N6O3S2.C23H20N6O2S2.C20H21N7O.C19H15ClN4O2S2.3CH4.CH3.W.H2/c1-18-4-6-20(7-5-18)38(35,36)34-13-10-22-21(8-11-28-26(22)34)23-16-24(25-9-12-29-32(25)3)31-27(30-23)33-14-15-37-17-19(33)2;1-15-4-6-16(7-5-15)34(31,32)29-13-10-18-17(8-11-24-22(18)29)19-14-20(21-9-12-25-28(21)2)27-23(26-19)33(3)30;1-15-4-6-16(7-5-15)33(30,31)29-13-10-18-17(8-11-24-22(18)29)19-14-20(27-23(26-19)32-3)21-9-12-25-28(21)2;1-13-12-28-10-9-27(13)20-24-16(11-17(25-20)18-5-8-23-26(18)2)14-3-6-21-19-15(14)4-7-22-19;1-12-3-5-13(6-4-12)28(25,26)24-10-8-15-14(7-9-21-18(15)24)16-11-17(20)23-19(22-16)27-2;;;;;;/h4-13,16,19H,14-15,17H2,1-3H3;4-14H,1-3H3;4-14H,1-3H3;3-8,11,13H,9-10,12H2,1-2H3,(H,21,22);3-11H,1-2H3;3*1H4;1H3;;1H/q;;;;;;;;-1;;/t19-;;;13-;;;;;;;/m1..1......./s1.

What are the key properties of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten?

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten has a molecular weight of 2554.20 g/mol, XLogP of 20.66, 22 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten is sourced from PubChem (CID 159858720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).