potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride

C103H159B2ClF6KN25O19S6 — CID 158092636

About potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride

potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride (PubChem CID 158092636) has the molecular formula C103H159B2ClF6KN25O19S6 and a molecular weight of 2454.13 g/mol. Its IUPAC name is potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride.

Molecular Properties

• Compound Name: potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride
• PubChem CID: 158092636
• Molecular Formula: C103H159B2ClF6KN25O19S6
• Molecular Weight: 2454.13 g/mol
• Exact Mass: 2452.00
• IUPAC Name: potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride
• SMILES: C=O.CN(C(=O)OC(C)(C)C)C1CCNCC1.CN(C(=O)OC(C)(C)C)C1CC[NH+](CB(F)F)CC1.CNC1CCN(Cc2csc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C(=O)OC(C)(C)C)CC4)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C)CC4)csc23)cc1NS(C)(=O)=O.F[B-](F)(F)CCl.[F-].[K+]
• InChI: InChI=1S/C29H41N7O6S2.C25H35N7O4S2.C24H33N7O4S2.C12H23BF2N2O2.C11H22N2O2.CH2BClF3.CH2O.FH.K/c1-29(2,3)42-28(37)34(4)21-7-9-35(10-8-21)17-20-18-43-25-23(31-27(32-24(20)25)36-11-13-41-14-12-36)19-15-22(33-44(6,38)39)26(40-5)30-16-19;1-30(2)19-5-7-31(8-6-19)15-18-16-37-23-21(27-25(28-22(18)23)32-9-11-36-12-10-32)17-13-20(29-38(4,33)34)24(35-3)26-14-17;1-25-18-4-6-30(7-5-18)14-17-15-36-22-20(27-24(28-21(17)22)31-8-10-35-11-9-31)16-12-19(29-37(3,32)33)23(34-2)26-13-16;1-12(2,3)19-11(18)16(4)10-5-7-17(8-6-10)9-13(14)15;1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;3-1-2(4,5)6;1-2;;/h15-16,18,21,33H,7-14,17H2,1-6H3;13-14,16,19,29H,5-12,15H2,1-4H3;12-13,15,18,25,29H,4-11,14H2,1-3H3;10H,5-9H2,1-4H3;9,12H,5-8H2,1-4H3;1H2;1H2;1H;/q;;;;;-1;;;+1
• InChIKey: AWSSQOVWHMJWRB-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 466.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.13
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride?

The IUPAC name of potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride (CID 158092636) is potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride.

What is the SMILES notation for potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride?

The canonical SMILES for potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride is C=O.CN(C(=O)OC(C)(C)C)C1CCNCC1.CN(C(=O)OC(C)(C)C)C1CC[NH+](CB(F)F)CC1.CNC1CCN(Cc2csc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C(=O)OC(C)(C)C)CC4)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N(C)C)CC4)csc23)cc1NS(C)(=O)=O.F[B-](F)(F)CCl.[F-].[K+].

What is the InChIKey of potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride?

The InChIKey is AWSSQOVWHMJWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O6S2.C25H35N7O4S2.C24H33N7O4S2.C12H23BF2N2O2.C11H22N2O2.CH2BClF3.CH2O.FH.K/c1-29(2,3)42-28(37)34(4)21-7-9-35(10-8-21)17-20-18-43-25-23(31-27(32-24(20)25)36-11-13-41-14-12-36)19-15-22(33-44(6,38)39)26(40-5)30-16-19;1-30(2)19-5-7-31(8-6-19)15-18-16-37-23-21(27-25(28-22(18)23)32-9-11-36-12-10-32)17-13-20(29-38(4,33)34)24(35-3)26-14-17;1-25-18-4-6-30(7-5-18)14-17-15-36-22-20(27-24(28-21(17)22)31-8-10-35-11-9-31)16-12-19(29-37(3,32)33)23(34-2)26-13-16;1-12(2,3)19-11(18)16(4)10-5-7-17(8-6-10)9-13(14)15;1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;3-1-2(4,5)6;1-2;;/h15-16,18,21,33H,7-14,17H2,1-6H3;13-14,16,19,29H,5-12,15H2,1-4H3;12-13,15,18,25,29H,4-11,14H2,1-3H3;10H,5-9H2,1-4H3;9,12H,5-8H2,1-4H3;1H2;1H2;1H;/q;;;;;-1;;;+1.

What are the key properties of potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride?

potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride has a molecular weight of 2454.13 g/mol, XLogP of 6.36, 29 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl N-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]-N-methylcarbamate;tert-butyl N-[1-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;chloromethyl(trifluoro)boranuide;N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;formaldehyde;N-[2-methoxy-5-[7-[[4-(methylamino)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;fluoride is sourced from PubChem (CID 158092636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).