dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate

C47H58BIK2N8O7S2 — CID 161327826

IUPACdipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3csc4cc(C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cc1cc2scc(B3OC(C)(C)C(C)(C)O3)c2cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C20H22N4OS.C14H18BNO2S.C12H16IN3O.CH2O3.2K.H/c1-3-18(25)23-6-7-24-16(10-23)19(22-20(24)13-4-5-13)15-11-26-17-8-12(2)21-9-14(15)17;1-9-6-12-10(7-16-9)11(8-19-12)15-17-13(2,3)14(4,5)18-15;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;2-1-4-3;;;/h8-9,11,13H,3-7,10H2,1-2H3;6-8H,1-5H3;8H,2-7H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyBFABWSPZQVDJIX-UHFFFAOYSA-M
MW1127.08 g/mol
LogP1.67
Rot. Bonds7

About dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate

dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate (PubChem CID 161327826) has the molecular formula C47H58BIK2N8O7S2 and a molecular weight of 1127.08 g/mol. Its IUPAC name is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate.

Molecular Properties

Compound Namedipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate
PubChem CID161327826
Molecular FormulaC47H58BIK2N8O7S2
Molecular Weight1127.08 g/mol
Exact Mass1126.23
IUPAC Namedipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3csc4cc(C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cc1cc2scc(B3OC(C)(C)C(C)(C)O3)c2cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C20H22N4OS.C14H18BNO2S.C12H16IN3O.CH2O3.2K.H/c1-3-18(25)23-6-7-24-16(10-23)19(22-20(24)13-4-5-13)15-11-26-17-8-12(2)21-9-14(15)17;1-9-6-12-10(7-16-9)11(8-19-12)15-17-13(2,3)14(4,5)18-15;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;2-1-4-3;;;/h8-9,11,13H,3-7,10H2,1-2H3;6-8H,1-5H3;8H,2-7H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyBFABWSPZQVDJIX-UHFFFAOYSA-M
XLogP1.67
TPSA169.86 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.08
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate with MolForge

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Related Compounds

1-[3-cyclopropyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,2,2-trifluoroacetic acid
CID 157775644
1-[3-cyclopropyl-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;5-[7-fluoro-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]-2-methyl-1,3-thiazole
CID 157303452
Dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;hydride;methane;2-methyl-5-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]-1,3-thiazole;oxido formate
CID 162202253

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate?
The IUPAC name of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate (CID 161327826) is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate.
What is the SMILES notation for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate?
The canonical SMILES for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate is CCC(=O)N1CCn2c(C3CC3)nc(-c3csc4cc(C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cc1cc2scc(B3OC(C)(C)C(C)(C)O3)c2cn1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate?
The InChIKey is BFABWSPZQVDJIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N4OS.C14H18BNO2S.C12H16IN3O.CH2O3.2K.H/c1-3-18(25)23-6-7-24-16(10-23)19(22-20(24)13-4-5-13)15-11-26-17-8-12(2)21-9-14(15)17;1-9-6-12-10(7-16-9)11(8-19-12)15-17-13(2,3)14(4,5)18-15;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;2-1-4-3;;;/h8-9,11,13H,3-7,10H2,1-2H3;6-8H,1-5H3;8H,2-7H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate?
dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate has a molecular weight of 1127.08 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(6-methylthieno[3,2-c]pyridin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-c]pyridine;oxido formate is sourced from PubChem (CID 161327826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).