carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten

C85H96Br2F9N24O10S3W- — CID 160673175

About carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten

carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten (PubChem CID 160673175) has the molecular formula C85H96Br2F9N24O10S3W- and a molecular weight of 2224.69 g/mol. Its IUPAC name is carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten.

Molecular Properties

• Compound Name: carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten
• PubChem CID: 160673175
• Molecular Formula: C85H96Br2F9N24O10S3W-
• Molecular Weight: 2224.69 g/mol
• Exact Mass: 2221.46
• IUPAC Name: carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten
• SMILES: CCOC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CN(c1ncnc2[nH]ccc12)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C=O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(c5ncc(C(F)(F)F)[nH]5)C4)ncnc32)cc1.O=C(C(Br)Br)C(F)(F)F.[CH3-].[W]
• InChI: InChI=1S/C23H24F3N7O2S.C22H27N5O4S.C20H23N5O3S.C16H18F3N7.C3HBr2F3O.CH3.W/c1-15-5-7-17(8-6-15)36(34,35)33-11-9-18-21(28-14-29-22(18)33)31(2)32-10-3-4-16(13-32)20-27-12-19(30-20)23(24,25)26;1-4-31-22(28)17-6-5-12-26(14-17)25(3)20-19-11-13-27(21(19)24-15-23-20)32(29,30)18-9-7-16(2)8-10-18;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;1-25(15-11-4-5-20-14(11)22-9-23-15)26-6-2-3-10(8-26)13-21-7-12(24-13)16(17,18)19;4-2(5)1(9)3(6,7)8;;/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,27,30);7-11,13,15,17H,4-6,12,14H2,1-3H3;5-9,11,13-14,16H,3-4,10,12H2,1-2H3;4-5,7,9-10H,2-3,6,8H2,1H3,(H,21,24)(H,20,22,23);2H;1H3;/q;;;;;-1
• InChIKey: VDDUTUWKECMCOF-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 379.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2224.69
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?

The IUPAC name of carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten (CID 160673175) is carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten.

What is the SMILES notation for carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?

The canonical SMILES for carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten is CCOC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CN(c1ncnc2[nH]ccc12)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C=O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(c5ncc(C(F)(F)F)[nH]5)C4)ncnc32)cc1.O=C(C(Br)Br)C(F)(F)F.[CH3-].[W].

What is the InChIKey of carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?

The InChIKey is VDDUTUWKECMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2S.C22H27N5O4S.C20H23N5O3S.C16H18F3N7.C3HBr2F3O.CH3.W/c1-15-5-7-17(8-6-15)36(34,35)33-11-9-18-21(28-14-29-22(18)33)31(2)32-10-3-4-16(13-32)20-27-12-19(30-20)23(24,25)26;1-4-31-22(28)17-6-5-12-26(14-17)25(3)20-19-11-13-27(21(19)24-15-23-20)32(29,30)18-9-7-16(2)8-10-18;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;1-25(15-11-4-5-20-14(11)22-9-23-15)26-6-2-3-10(8-26)13-21-7-12(24-13)16(17,18)19;4-2(5)1(9)3(6,7)8;;/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,27,30);7-11,13,15,17H,4-6,12,14H2,1-3H3;5-9,11,13-14,16H,3-4,10,12H2,1-2H3;4-5,7,9-10H,2-3,6,8H2,1H3,(H,21,24)(H,20,22,23);2H;1H3;/q;;;;;-1;.

What are the key properties of carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?

carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten has a molecular weight of 2224.69 g/mol, XLogP of 14.40, 20 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3,3-dibromo-1,1,1-trifluoropropan-2-one;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carbaldehyde;N-methyl-7-(4-methylphenyl)sulfonyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten is sourced from PubChem (CID 160673175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).