carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten

C103H131N26O16S5W- — CID 158900738

About carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten

carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten (PubChem CID 158900738) has the molecular formula C103H131N26O16S5W- and a molecular weight of 2333.52 g/mol. Its IUPAC name is carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten.

Molecular Properties

• Compound Name: carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten
• PubChem CID: 158900738
• Molecular Formula: C103H131N26O16S5W-
• Molecular Weight: 2333.52 g/mol
• Exact Mass: 2331.84
• IUPAC Name: carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten
• SMILES: COCCC(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1.COCCC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CSCCC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(=O)O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(N)=O)C4)ncnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C23H29N5O4S.C23H29N5O3S2.C20H24N6O3S.C20H23N5O4S.C16H23N5O2.CH3.W/c2*1-17-6-8-19(9-7-17)33(30,31)28-13-10-20-22(24-16-25-23(20)28)26(2)27-12-4-5-18(15-27)21(29)11-14-32-3;1-14-5-7-16(8-6-14)30(28,29)26-11-9-17-19(22-13-23-20(17)26)24(2)25-10-3-4-15(12-25)18(21)27;1-14-5-7-16(8-6-14)30(28,29)25-11-9-17-18(21-13-22-19(17)25)23(2)24-10-3-4-15(12-24)20(26)27;1-20(16-13-5-7-17-15(13)18-11-19-16)21-8-3-4-12(10-21)14(22)6-9-23-2;;/h2*6-10,13,16,18H,4-5,11-12,14-15H2,1-3H3;5-9,11,13,15H,3-4,10,12H2,1-2H3,(H2,21,27);5-9,11,13,15H,3-4,10,12H2,1-2H3,(H,26,27);5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,17,18,19);1H3;/q;;;;;-1
• InChIKey: YXVDQKBRDXFDJD-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 483.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.52
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten?

The IUPAC name of carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten (CID 158900738) is carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten.

What is the SMILES notation for carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten?

The canonical SMILES for carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten is COCCC(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1.COCCC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CSCCC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(=O)O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(N)=O)C4)ncnc32)cc1.[CH3-].[W].

What is the InChIKey of carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten?

The InChIKey is YXVDQKBRDXFDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S.C23H29N5O3S2.C20H24N6O3S.C20H23N5O4S.C16H23N5O2.CH3.W/c2*1-17-6-8-19(9-7-17)33(30,31)28-13-10-20-22(24-16-25-23(20)28)26(2)27-12-4-5-18(15-27)21(29)11-14-32-3;1-14-5-7-16(8-6-14)30(28,29)26-11-9-17-19(22-13-23-20(17)26)24(2)25-10-3-4-15(12-25)18(21)27;1-14-5-7-16(8-6-14)30(28,29)25-11-9-17-18(21-13-22-19(17)25)23(2)24-10-3-4-15(12-24)20(26)27;1-20(16-13-5-7-17-15(13)18-11-19-16)21-8-3-4-12(10-21)14(22)6-9-23-2;;/h2*6-10,13,16,18H,4-5,11-12,14-15H2,1-3H3;5-9,11,13,15H,3-4,10,12H2,1-2H3,(H2,21,27);5-9,11,13,15H,3-4,10,12H2,1-2H3,(H,26,27);5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,17,18,19);1H3;/q;;;;;-1;.

What are the key properties of carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten?

carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten has a molecular weight of 2333.52 g/mol, XLogP of 11.73, 32 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3-methoxy-1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]propan-1-one;3-methoxy-1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]propan-1-one;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylic acid;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten is sourced from PubChem (CID 158900738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).