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

C34H45N12O4SW- — CID 159446052

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

carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten (PubChem CID 159446052) has the molecular formula C34H45N12O4SW- and a molecular weight of 901.72 g/mol. Its IUPAC name is carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten.

Molecular Properties

• Compound Name: carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten
• PubChem CID: 159446052
• Molecular Formula: C34H45N12O4SW-
• Molecular Weight: 901.72 g/mol
• Exact Mass: 901.29
• IUPAC Name: carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten
• SMILES: CN(c1ncnc2[nH]ccc12)N1CCCC(C(N)=O)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(N)=O)C4)ncnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C20H24N6O3S.C13H18N6O.CH3.W/c1-14-5-7-16(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;1-18(19-6-2-3-9(7-19)11(14)20)13-10-4-5-15-12(10)16-8-17-13;;/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H2,21,27);4-5,8-9H,2-3,6-7H2,1H3,(H2,14,20)(H,15,16,17);1H3;/q;;-1
• InChIKey: HTUJEUAHPXPDCV-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 205.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.72
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten (CID 159446052) is carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten.

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

The canonical SMILES for carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten is CN(c1ncnc2[nH]ccc12)N1CCCC(C(N)=O)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(N)=O)C4)ncnc32)cc1.[CH3-].[W].

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

The InChIKey is HTUJEUAHPXPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S.C13H18N6O.CH3.W/c1-14-5-7-16(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;1-18(19-6-2-3-9(7-19)11(14)20)13-10-4-5-15-12(10)16-8-17-13;;/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H2,21,27);4-5,8-9H,2-3,6-7H2,1H3,(H2,14,20)(H,15,16,17);1H3;/q;;-1;.

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

carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten has a molecular weight of 901.72 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxamide;tungsten is sourced from PubChem (CID 159446052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).