dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate

C51H62BIK2N8O9 — CID 159455214

IUPACdipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(OC)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.COc1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H24N4O2.C16H20BNO3.C12H16IN3O.CH2O3.2K.H/c1-3-20(27)25-9-10-26-18(13-25)21(24-22(26)14-7-8-14)16-6-4-5-15-11-19(28-2)23-12-17(15)16;1-15(2)16(3,4)21-17(20-15)13-8-6-7-11-9-14(19-5)18-10-12(11)13;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;2-1-4-3;;;/h4-6,11-12,14H,3,7-10,13H2,1-2H3;6-10H,1-5H3;8H,2-7H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeySWFQPZICMFPCPB-UHFFFAOYSA-M
MW1147.02 g/mol
LogP0.95
Rot. Bonds9

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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate (PubChem CID 159455214) has the molecular formula C51H62BIK2N8O9 and a molecular weight of 1147.02 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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
PubChem CID159455214
Molecular FormulaC51H62BIK2N8O9
Molecular Weight1147.02 g/mol
Exact Mass1146.31
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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(OC)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.COc1cc2cccc(B3OC(C)(C)C(C)(C)O3)c2cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H24N4O2.C16H20BNO3.C12H16IN3O.CH2O3.2K.H/c1-3-20(27)25-9-10-26-18(13-25)21(24-22(26)14-7-8-14)16-6-4-5-15-11-19(28-2)23-12-17(15)16;1-15(2)16(3,4)21-17(20-15)13-8-6-7-11-9-14(19-5)18-10-12(11)13;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;2-1-4-3;;;/h4-6,11-12,14H,3,7-10,13H2,1-2H3;6-10H,1-5H3;8H,2-7H2,1H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeySWFQPZICMFPCPB-UHFFFAOYSA-M
XLogP0.95
TPSA188.32 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.02
LogP ≤ 50.95
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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-cyclopropyl-1-[3-(3,6-dihydro-2H-pyran-4-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;2-[6-(3,6-dihydro-2H-pyran-4-yl)-7-methylnaphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157100455
dipotassium;1-bromo-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-(3,6-dihydro-2H-pyran-4-yl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;hydride;methane;oxido formate
CID 158206491
1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;8-(3-cyclopropyl-7-propanoyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2H-isoquinolin-3-one
CID 158548129
tert-butyl N-[1-[[6-ethynyl-5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl N-[1-[[5-[2-(2-methoxy-3-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-6-[2-(1-methylisoquinolin-6-yl)ethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;6-iodo-1-methylisoquinoline
CID 160413497
1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 158548130

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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate (CID 159455214) 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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate is CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(OC)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.COc1cc2cccc(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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate?
The InChIKey is SWFQPZICMFPCPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24N4O2.C16H20BNO3.C12H16IN3O.CH2O3.2K.H/c1-3-20(27)25-9-10-26-18(13-25)21(24-22(26)14-7-8-14)16-6-4-5-15-11-19(28-2)23-12-17(15)16;1-15(2)16(3,4)21-17(20-15)13-8-6-7-11-9-14(19-5)18-10-12(11)13;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;2-1-4-3;;;/h4-6,11-12,14H,3,7-10,13H2,1-2H3;6-10H,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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate has a molecular weight of 1147.02 g/mol, XLogP of 0.95, 9 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-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;hydride;3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;oxido formate is sourced from PubChem (CID 159455214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).