carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten

C62H75F9N17O7S2W- — CID 160502322

About carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten

carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten (PubChem CID 160502322) has the molecular formula C62H75F9N17O7S2W- and a molecular weight of 1589.35 g/mol. Its IUPAC name is carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten.

Molecular Properties

• Compound Name: carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten
• PubChem CID: 160502322
• Molecular Formula: C62H75F9N17O7S2W-
• Molecular Weight: 1589.35 g/mol
• Exact Mass: 1588.48
• IUPAC Name: carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten
• SMILES: CN(CC(F)(F)F)C(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(=O)N(C)CC(F)(F)F)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NN4CCCC(C(=O)CCC(F)(F)F)C4)ncnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C23H27F3N6O3S.C22H24F3N5O3S.C16H21F3N6O.CH3.W/c1-16-6-8-18(9-7-16)36(34,35)32-12-10-19-20(27-15-28-21(19)32)30(3)31-11-4-5-17(13-31)22(33)29(2)14-23(24,25)26;1-15-4-6-17(7-5-15)34(32,33)30-12-9-18-20(26-14-27-21(18)30)28-29-11-2-3-16(13-29)19(31)8-10-22(23,24)25;1-23(9-16(17,18)19)15(26)11-4-3-7-25(8-11)24(2)14-12-5-6-20-13(12)21-10-22-14;;/h6-10,12,15,17H,4-5,11,13-14H2,1-3H3;4-7,9,12,14,16H,2-3,8,10-11,13H2,1H3,(H,26,27,28);5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,21,22);1H3;/q;;;-1
• InChIKey: JYKUXJGDFIWHHS-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 257.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.35
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten?

The IUPAC name of carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten (CID 160502322) is carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten.

What is the SMILES notation for carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten?

The canonical SMILES for carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten is CN(CC(F)(F)F)C(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(=O)N(C)CC(F)(F)F)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NN4CCCC(C(=O)CCC(F)(F)F)C4)ncnc32)cc1.[CH3-].[W].

What is the InChIKey of carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten?

The InChIKey is JYKUXJGDFIWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O3S.C22H24F3N5O3S.C16H21F3N6O.CH3.W/c1-16-6-8-18(9-7-16)36(34,35)32-12-10-19-20(27-15-28-21(19)32)30(3)31-11-4-5-17(13-31)22(33)29(2)14-23(24,25)26;1-15-4-6-17(7-5-15)34(32,33)30-12-9-18-20(26-14-27-21(18)30)28-29-11-2-3-16(13-29)19(31)8-10-22(23,24)25;1-23(9-16(17,18)19)15(26)11-4-3-7-25(8-11)24(2)14-12-5-6-20-13(12)21-10-22-14;;/h6-10,12,15,17H,4-5,11,13-14H2,1-3H3;4-7,9,12,14,16H,2-3,8,10-11,13H2,1H3,(H,26,27,28);5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,21,22);1H3;/q;;;-1;.

What are the key properties of carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten?

carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten has a molecular weight of 1589.35 g/mol, XLogP of 9.48, 17 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;N-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;4,4,4-trifluoro-1-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]butan-1-one;tungsten is sourced from PubChem (CID 160502322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).