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

C40H55N10O4S3W- — CID 158785188

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

carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten (PubChem CID 158785188) has the molecular formula C40H55N10O4S3W- and a molecular weight of 1019.99 g/mol. Its IUPAC name is carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten.

Molecular Properties

• Compound Name: carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten
• PubChem CID: 158785188
• Molecular Formula: C40H55N10O4S3W-
• Molecular Weight: 1019.99 g/mol
• Exact Mass: 1019.31
• IUPAC Name: carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten
• SMILES: CSCCC(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1.CSCCC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.[CH3-].[W]
• InChI: InChI=1S/C23H29N5O3S2.C16H23N5OS.CH3.W/c1-17-6-8-19(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;1-20(16-13-5-7-17-15(13)18-11-19-16)21-8-3-4-12(10-21)14(22)6-9-23-2;;/h6-10,13,16,18H,4-5,11-12,14-15H2,1-3H3;5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,17,18,19);1H3;/q;;-1
• InChIKey: CCEQLURQAUVMJQ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 153.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.99
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten (CID 158785188) is carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten.

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

The canonical SMILES for carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten is CSCCC(=O)C1CCCN(N(C)c2ncnc3[nH]ccc23)C1.CSCCC(=O)C1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.[CH3-].[W].

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

The InChIKey is CCEQLURQAUVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S2.C16H23N5OS.CH3.W/c1-17-6-8-19(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;1-20(16-13-5-7-17-15(13)18-11-19-16)21-8-3-4-12(10-21)14(22)6-9-23-2;;/h6-10,13,16,18H,4-5,11-12,14-15H2,1-3H3;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;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten?

carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten has a molecular weight of 1019.99 g/mol, XLogP of 6.15, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-3-methylsulfanylpropan-1-one;tungsten is sourced from PubChem (CID 158785188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).