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

C126H135ClN25O12S7W- — CID 159536767

About carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten (PubChem CID 159536767) 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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten
• PubChem CID: 159536767
• 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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten
• SMILES: C.C.C.C.CCn1nccc1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.CCn1nccc1-c1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)nc(N2CCOC[C@H]2C)n1.CCn1nccc1-c1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)nc(S(C)(=O)=O)n1.CCn1nccc1-c1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)nc(SC)n1.CSc1nc(Cl)cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.[CH3-].[W]
• InChI: InChI=1S/C29H30N6O3S.C25H23N5O4S2.C25H23N5O2S2.C22H24N6O.C20H16ClN3O2S2.4CH4.CH3.W/c1-4-34-28(12-14-30-34)26-18-25(31-29(32-26)33-16-17-38-19-21(33)3)23-6-5-7-27-24(23)13-15-35(27)39(36,37)22-10-8-20(2)9-11-22;1-4-29-24(12-14-26-29)22-16-21(27-25(28-22)35(3,31)32)19-6-5-7-23-20(19)13-15-30(23)36(33,34)18-10-8-17(2)9-11-18;1-4-29-24(12-14-26-29)22-16-21(27-25(28-22)33-3)19-6-5-7-23-20(19)13-15-30(23)34(31,32)18-10-8-17(2)9-11-18;1-3-28-21(8-10-24-28)20-13-19(16-5-4-6-18-17(16)7-9-23-18)25-22(26-20)27-11-12-29-14-15(27)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;;;;;;/h5-15,18,21H,4,16-17,19H2,1-3H3;5-16H,4H2,1-3H3;5-16H,4H2,1-3H3;4-10,13,15,23H,3,11-12,14H2,1-2H3;3-12H,1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t21-;;;15-;;;;;;;/m1..1......./s1
• InChIKey: NLFZZBNHKQMHGL-BHTQJCBGSA-N
• XLogP: 25.68
• TPSA: 431.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.39
LogP ≤ 5	25.68
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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten (CID 159536767) is carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten is C.C.C.C.CCn1nccc1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.CCn1nccc1-c1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)nc(N2CCOC[C@H]2C)n1.CCn1nccc1-c1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)nc(S(C)(=O)=O)n1.CCn1nccc1-c1cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)nc(SC)n1.CSc1nc(Cl)cc(-c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)n1.[CH3-].[W].

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

The InChIKey is NLFZZBNHKQMHGL-BHTQJCBGSA-N. The full InChI is InChI=1S/C29H30N6O3S.C25H23N5O4S2.C25H23N5O2S2.C22H24N6O.C20H16ClN3O2S2.4CH4.CH3.W/c1-4-34-28(12-14-30-34)26-18-25(31-29(32-26)33-16-17-38-19-21(33)3)23-6-5-7-27-24(23)13-15-35(27)39(36,37)22-10-8-20(2)9-11-22;1-4-29-24(12-14-26-29)22-16-21(27-25(28-22)35(3,31)32)19-6-5-7-23-20(19)13-15-30(23)36(33,34)18-10-8-17(2)9-11-18;1-4-29-24(12-14-26-29)22-16-21(27-25(28-22)33-3)19-6-5-7-23-20(19)13-15-30(23)34(31,32)18-10-8-17(2)9-11-18;1-3-28-21(8-10-24-28)20-13-19(16-5-4-6-18-17(16)7-9-23-18)25-22(26-20)27-11-12-29-14-15(27)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;;;;;;/h5-15,18,21H,4,16-17,19H2,1-3H3;5-16H,4H2,1-3H3;5-16H,4H2,1-3H3;4-10,13,15,23H,3,11-12,14H2,1-2H3;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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten has a molecular weight of 2635.39 g/mol, XLogP of 25.68, 26 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-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten is sourced from PubChem (CID 159536767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).