N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten

C51H69F3N17O4SW- — CID 159396825

About N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten

N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten (PubChem CID 159396825) has the molecular formula C51H69F3N17O4SW- and a molecular weight of 1257.13 g/mol. Its IUPAC name is N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten
• PubChem CID: 159396825
• Molecular Formula: C51H69F3N17O4SW-
• Molecular Weight: 1257.13 g/mol
• Exact Mass: 1256.49
• IUPAC Name: N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten
• SMILES: CN(c1ncnc2[nH]ccc12)N1CCCC(CCC(=O)CC(F)(F)F)C1.CN(c1ncnc2[nH]ccc12)N1CCCC(CN)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(N)=O)C4)ncnc32)cc1.[CH3-].[W]
• InChI: InChI=1S/C20H24N6O3S.C17H22F3N5O.C13H20N6.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;1-24(16-14-6-7-21-15(14)22-11-23-16)25-8-2-3-12(10-25)4-5-13(26)9-17(18,19)20;1-18(19-6-2-3-10(7-14)8-19)13-11-4-5-15-12(11)16-9-17-13;;/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H2,21,27);6-7,11-12H,2-5,8-10H2,1H3,(H,21,22,23);4-5,9-10H,2-3,6-8,14H2,1H3,(H,15,16,17);1H3;/q;;;-1
• InChIKey: KVTGSVSHBWILLH-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 253.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.13
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten?

The IUPAC name of N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten (CID 159396825) is N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten.

What is the SMILES notation for N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten?

The canonical SMILES for N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten is CN(c1ncnc2[nH]ccc12)N1CCCC(CCC(=O)CC(F)(F)F)C1.CN(c1ncnc2[nH]ccc12)N1CCCC(CN)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(C(N)=O)C4)ncnc32)cc1.[CH3-].[W].

What is the InChIKey of N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten?

The InChIKey is KVTGSVSHBWILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S.C17H22F3N5O.C13H20N6.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;1-24(16-14-6-7-21-15(14)22-11-23-16)25-8-2-3-12(10-25)4-5-13(26)9-17(18,19)20;1-18(19-6-2-3-10(7-14)8-19)13-11-4-5-15-12(11)16-9-17-13;;/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H2,21,27);6-7,11-12H,2-5,8-10H2,1H3,(H,21,22,23);4-5,9-10H,2-3,6-8,14H2,1H3,(H,15,16,17);1H3;/q;;;-1;.

What are the key properties of N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten?

N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten has a molecular weight of 1257.13 g/mol, XLogP of 6.28, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)piperidin-1-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;carbanide;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxamide;1,1,1-trifluoro-5-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pentan-3-one;tungsten is sourced from PubChem (CID 159396825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).