carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten

C106H129F3N27O15S5W- — CID 160617402

About carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten

carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten (PubChem CID 160617402) has the molecular formula C106H129F3N27O15S5W- and a molecular weight of 2422.54 g/mol. Its IUPAC name is carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten.

Molecular Properties

• Compound Name: carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten
• PubChem CID: 160617402
• Molecular Formula: C106H129F3N27O15S5W-
• Molecular Weight: 2422.54 g/mol
• Exact Mass: 2420.82
• IUPAC Name: carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten
• SMILES: CN(c1ncnc2[nH]ccc12)N1CCCC(CC(=O)NCC(F)(F)F)C1.Cc1ccc(S(=O)(=O)OCC2CCCN(N(C)c3ncnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)C2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(CC#N)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(CC(=O)O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(CO)C4)ncnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C27H31N5O5S2.C21H24N6O2S.C21H25N5O4S.C20H25N5O3S.C16H21F3N6O.CH3.W/c1-20-6-10-23(11-7-20)38(33,34)32-16-14-25-26(28-19-29-27(25)32)30(3)31-15-4-5-22(17-31)18-37-39(35,36)24-12-8-21(2)9-13-24;1-16-5-7-18(8-6-16)30(28,29)27-13-10-19-20(23-15-24-21(19)27)25(2)26-12-3-4-17(14-26)9-11-22;1-15-5-7-17(8-6-15)31(29,30)26-11-9-18-20(22-14-23-21(18)26)24(2)25-10-3-4-16(13-25)12-19(27)28;1-15-5-7-17(8-6-15)29(27,28)25-11-9-18-19(21-14-22-20(18)25)23(2)24-10-3-4-16(12-24)13-26;1-24(15-12-4-5-20-14(12)22-10-23-15)25-6-2-3-11(8-25)7-13(26)21-9-16(17,18)19;;/h6-14,16,19,22H,4-5,15,17-18H2,1-3H3;5-8,10,13,15,17H,3-4,9,12,14H2,1-2H3;5-9,11,14,16H,3-4,10,12-13H2,1-2H3,(H,27,28);5-9,11,14,16,26H,3-4,10,12-13H2,1-2H3;4-5,10-11H,2-3,6-9H2,1H3,(H,21,26)(H,20,22,23);1H3;/q;;;;;-1
• InChIKey: RUXOJKJHDYDYSE-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 487.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.54
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten?

The IUPAC name of carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten (CID 160617402) is carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten.

What is the SMILES notation for carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten?

The canonical SMILES for carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten is CN(c1ncnc2[nH]ccc12)N1CCCC(CC(=O)NCC(F)(F)F)C1.Cc1ccc(S(=O)(=O)OCC2CCCN(N(C)c3ncnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)C2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(CC#N)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(CC(=O)O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(CO)C4)ncnc32)cc1.[CH3-].[W].

What is the InChIKey of carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten?

The InChIKey is RUXOJKJHDYDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5S2.C21H24N6O2S.C21H25N5O4S.C20H25N5O3S.C16H21F3N6O.CH3.W/c1-20-6-10-23(11-7-20)38(33,34)32-16-14-25-26(28-19-29-27(25)32)30(3)31-15-4-5-22(17-31)18-37-39(35,36)24-12-8-21(2)9-13-24;1-16-5-7-18(8-6-16)30(28,29)27-13-10-19-20(23-15-24-21(19)27)25(2)26-12-3-4-17(14-26)9-11-22;1-15-5-7-17(8-6-15)31(29,30)26-11-9-18-20(22-14-23-21(18)26)24(2)25-10-3-4-16(13-25)12-19(27)28;1-15-5-7-17(8-6-15)29(27,28)25-11-9-18-19(21-14-22-20(18)25)23(2)24-10-3-4-16(12-24)13-26;1-24(15-12-4-5-20-14(12)22-10-23-15)25-6-2-3-11(8-25)7-13(26)21-9-16(17,18)19;;/h6-14,16,19,22H,4-5,15,17-18H2,1-3H3;5-8,10,13,15,17H,3-4,9,12,14H2,1-2H3;5-9,11,14,16H,3-4,10,12-13H2,1-2H3,(H,27,28);5-9,11,14,16,26H,3-4,10,12-13H2,1-2H3;4-5,10-11H,2-3,6-9H2,1H3,(H,21,26)(H,20,22,23);1H3;/q;;;;;-1;.

What are the key properties of carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten?

carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten has a molecular weight of 2422.54 g/mol, XLogP of 13.79, 29 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten is sourced from PubChem (CID 160617402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).