carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten

C75H79ClF6N19O7S2W- — CID 157128475

About carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten

carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten (PubChem CID 157128475) has the molecular formula C75H79ClF6N19O7S2W- and a molecular weight of 1756.00 g/mol. Its IUPAC name is carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten.

Molecular Properties

• Compound Name: carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten
• PubChem CID: 157128475
• Molecular Formula: C75H79ClF6N19O7S2W-
• Molecular Weight: 1756.00 g/mol
• Exact Mass: 1754.50
• IUPAC Name: carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten
• SMILES: C.C.C[C@@H]1COCCN1c1cc(-c2cn(C)nc2C(F)(F)F)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(-c5cn(C)nc5C(F)(F)F)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C28H26F3N7O3S.C23H22ClN5O3S.C21H20F3N7O.2CH4.CH3.W/c1-17-4-6-19(7-5-17)42(39,40)38-11-9-21-20(8-10-32-27(21)38)26-33-23(22-15-36(3)35-25(22)28(29,30)31)14-24(34-26)37-12-13-41-16-18(37)2;1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2;1-12-11-32-8-7-31(12)17-9-16(15-10-30(2)29-18(15)21(22,23)24)27-20(28-17)14-4-6-26-19-13(14)3-5-25-19;;;;/h4-11,14-15,18H,12-13,16H2,1-3H3;3-10,13,16H,11-12,14H2,1-2H3;3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26);2*1H4;1H3;/q;;;;;-1;/t18-;16-;12-;;;;/m111..../s1
• InChIKey: XQQSBTFCGXCSGP-IDPQWYBSSA-N
• XLogP: 13.98
• TPSA: 282.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.00
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten?

The IUPAC name of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten (CID 157128475) is carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten.

What is the SMILES notation for carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten?

The canonical SMILES for carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten is C.C.C[C@@H]1COCCN1c1cc(-c2cn(C)nc2C(F)(F)F)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(-c5cn(C)nc5C(F)(F)F)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.[CH3-].[W].

What is the InChIKey of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten?

The InChIKey is XQQSBTFCGXCSGP-IDPQWYBSSA-N. The full InChI is InChI=1S/C28H26F3N7O3S.C23H22ClN5O3S.C21H20F3N7O.2CH4.CH3.W/c1-17-4-6-19(7-5-17)42(39,40)38-11-9-21-20(8-10-32-27(21)38)26-33-23(22-15-36(3)35-25(22)28(29,30)31)14-24(34-26)37-12-13-41-16-18(37)2;1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2;1-12-11-32-8-7-31(12)17-9-16(15-10-30(2)29-18(15)21(22,23)24)27-20(28-17)14-4-6-26-19-13(14)3-5-25-19;;;;/h4-11,14-15,18H,12-13,16H2,1-3H3;3-10,13,16H,11-12,14H2,1-2H3;3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26);2*1H4;1H3;/q;;;;;-1;/t18-;16-;12-;;;;/m111..../s1.

What are the key properties of carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten?

carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten has a molecular weight of 1756.00 g/mol, XLogP of 13.98, 12 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten is sourced from PubChem (CID 157128475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).