carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten

C120H128ClN30O11S7W- — CID 159781690

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten (PubChem CID 159781690) has the molecular formula C120H128ClN30O11S7W- and a molecular weight of 2610.30 g/mol. Its IUPAC name is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten.

Molecular Properties

• Compound Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten
• PubChem CID: 159781690
• Molecular Formula: C120H128ClN30O11S7W-
• Molecular Weight: 2610.30 g/mol
• Exact Mass: 2607.76
• IUPAC Name: carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten
• SMILES: C.C.C.CSc1nc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2c(C)cnn2C)n1.CSc1nc(Cl)cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(S(C)=O)n4)ccnc32)cc1.Cc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.[CH3-].[H][H].[W]
• InChI: InChI=1S/C28H29N7O3S.C24H22N6O3S2.C24H22N6O2S2.C21H23N7O.C19H15ClN4O2S2.3CH4.CH3.W.H2/c1-18-5-7-21(8-6-18)39(36,37)35-12-10-23-22(9-11-29-27(23)35)24-15-25(26-19(2)16-30-33(26)4)32-28(31-24)34-13-14-38-17-20(34)3;1-15-5-7-17(8-6-15)35(32,33)30-12-10-19-18(9-11-25-23(19)30)20-13-21(28-24(27-20)34(4)31)22-16(2)14-26-29(22)3;1-15-5-7-17(8-6-15)34(31,32)30-12-10-19-18(9-11-25-23(19)30)20-13-21(28-24(27-20)33-4)22-16(2)14-26-29(22)3;1-13-11-24-27(3)19(13)18-10-17(15-4-6-22-20-16(15)5-7-23-20)25-21(26-18)28-8-9-29-12-14(28)2;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;;;;;;/h5-12,15-16,20H,13-14,17H2,1-4H3;5-14H,1-4H3;5-14H,1-4H3;4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23);3-11H,1-2H3;3*1H4;1H3;;1H/q;;;;;;;;-1;;/t20-;;;14-;;;;;;;/m1..1......./s1
• InChIKey: ZYISDGYLEYNWFH-MCWRMZSHSA-N
• XLogP: 21.90
• TPSA: 478.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.30
LogP ≤ 5	21.90
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;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten?

The IUPAC name of carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten (CID 159781690) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;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;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten?

The canonical SMILES for carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten is C.C.C.CSc1nc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc(-c2c(C)cnn2C)n1.CSc1nc(Cl)cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(-c5c(C)cnn5C)nc(S(C)=O)n4)ccnc32)cc1.Cc1cnn(C)c1-c1cc(-c2ccnc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.[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;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten?

The InChIKey is ZYISDGYLEYNWFH-MCWRMZSHSA-N. The full InChI is InChI=1S/C28H29N7O3S.C24H22N6O3S2.C24H22N6O2S2.C21H23N7O.C19H15ClN4O2S2.3CH4.CH3.W.H2/c1-18-5-7-21(8-6-18)39(36,37)35-12-10-23-22(9-11-29-27(23)35)24-15-25(26-19(2)16-30-33(26)4)32-28(31-24)34-13-14-38-17-20(34)3;1-15-5-7-17(8-6-15)35(32,33)30-12-10-19-18(9-11-25-23(19)30)20-13-21(28-24(27-20)34(4)31)22-16(2)14-26-29(22)3;1-15-5-7-17(8-6-15)34(31,32)30-12-10-19-18(9-11-25-23(19)30)20-13-21(28-24(27-20)33-4)22-16(2)14-26-29(22)3;1-13-11-24-27(3)19(13)18-10-17(15-4-6-22-20-16(15)5-7-23-20)25-21(26-18)28-8-9-29-12-14(28)2;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;;;;;;/h5-12,15-16,20H,13-14,17H2,1-4H3;5-14H,1-4H3;5-14H,1-4H3;4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23);3-11H,1-2H3;3*1H4;1H3;;1H/q;;;;;;;;-1;;/t20-;;;14-;;;;;;;/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;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten?

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten has a molecular weight of 2610.30 g/mol, XLogP of 21.90, 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;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten is sourced from PubChem (CID 159781690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).