potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride

C41H56BClF3KN13O4S2+ — CID 159130028

About potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride

potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride (PubChem CID 159130028) has the molecular formula C41H56BClF3KN13O4S2+ and a molecular weight of 1001.48 g/mol. Its IUPAC name is potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride.

Molecular Properties

• Compound Name: potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride
• PubChem CID: 159130028
• Molecular Formula: C41H56BClF3KN13O4S2+
• Molecular Weight: 1001.48 g/mol
• Exact Mass: 1000.34
• IUPAC Name: potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride
• SMILES: CC[NH+]1CCn2ccnc2C1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1NS(C)(=O)=O.FB(F)CCl.[F-].[K+].c1cn2c(n1)CCCC2
• InChI: InChI=1S/C25H30N8O4S2.C8H13N3.C7H10N2.CH2BClF2.FH.K/c1-16-18(14-31-6-7-32-5-4-26-20(32)15-31)22-23(38-16)21(28-25(29-22)33-8-10-37-11-9-33)17-12-19(30-39(3,34)35)24(36-2)27-13-17;1-2-10-5-6-11-4-3-9-8(11)7-10;1-2-5-9-6-4-8-7(9)3-1;3-1-2(4)5;;/h4-5,12-13,30H,6-11,14-15H2,1-3H3;3-4H,2,5-7H2,1H3;4,6H,1-3,5H2;1H2;1H;/q;;;;;+1
• InChIKey: JNTHEYFLQHXURD-UHFFFAOYSA-N
• XLogP: -1.79
• TPSA: 167.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.48
LogP ≤ 5	-1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride?

The IUPAC name of potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride (CID 159130028) is potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride.

What is the SMILES notation for potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride?

The canonical SMILES for potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride is CC[NH+]1CCn2ccnc2C1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1NS(C)(=O)=O.FB(F)CCl.[F-].[K+].c1cn2c(n1)CCCC2.

What is the InChIKey of potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride?

The InChIKey is JNTHEYFLQHXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O4S2.C8H13N3.C7H10N2.CH2BClF2.FH.K/c1-16-18(14-31-6-7-32-5-4-26-20(32)15-31)22-23(38-16)21(28-25(29-22)33-8-10-37-11-9-33)17-12-19(30-39(3,34)35)24(36-2)27-13-17;1-2-10-5-6-11-4-3-9-8(11)7-10;1-2-5-9-6-4-8-7(9)3-1;3-1-2(4)5;;/h4-5,12-13,30H,6-11,14-15H2,1-3H3;3-4H,2,5-7H2,1H3;4,6H,1-3,5H2;1H2;1H;/q;;;;;+1.

What are the key properties of potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride?

potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride has a molecular weight of 1001.48 g/mol, XLogP of -1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;chloromethyl(difluoro)borane;N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;7-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;fluoride is sourced from PubChem (CID 159130028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).