dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate

C55H66BCl2F2IK2N14O7 — CID 158701049

IUPACdipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c(-c5cnn(C)c5)nn4C)c3F)c2C1.CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c23)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C23H24FN7O.C18H22BFN4O2.C11H14IN3O.C2H4Cl2.CH2O3.2K.H/c1-13(32)30-8-9-31-18(12-30)22(26-23(31)14-4-5-14)16-6-7-17-19(20(16)24)21(27-29(17)3)15-10-25-28(2)11-15;1-17(2)18(3,4)26-19(25-17)12-7-8-13-14(15(12)20)16(22-24(13)6)11-9-21-23(5)10-11;1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8;1-2(3)4;2-1-4-3;;;/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3;7-10H,1-6H3;8H,2-6H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyWXZJUTCFXOYKIT-UHFFFAOYSA-M
MW1360.04 g/mol
LogP1.72
Rot. Bonds7

About dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate

dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate (PubChem CID 158701049) has the molecular formula C55H66BCl2F2IK2N14O7 and a molecular weight of 1360.04 g/mol. Its IUPAC name is dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate
PubChem CID158701049
Molecular FormulaC55H66BCl2F2IK2N14O7
Molecular Weight1360.04 g/mol
Exact Mass1358.30
IUPAC Namedipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate
SMILESCC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c(-c5cnn(C)c5)nn4C)c3F)c2C1.CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c23)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C23H24FN7O.C18H22BFN4O2.C11H14IN3O.C2H4Cl2.CH2O3.2K.H/c1-13(32)30-8-9-31-18(12-30)22(26-23(31)14-4-5-14)16-6-7-17-19(20(16)24)21(27-29(17)3)15-10-25-28(2)11-15;1-17(2)18(3,4)26-19(25-17)12-7-8-13-14(15(12)20)16(22-24(13)6)11-9-21-23(5)10-11;1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8;1-2(3)4;2-1-4-3;;;/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3;7-10H,1-6H3;8H,2-6H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyWXZJUTCFXOYKIT-UHFFFAOYSA-M
XLogP1.72
TPSA215.36 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate with MolForge

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Related Compounds

2-[3-(7-acetyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)azetidin-1-yl]-1-phenylethanone;2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158322536
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530508
1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530417
1-[1-iodo-3-(1-phenacylazetidin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-phenacylazetidin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158805356
1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
CID 139530360
dipotassium;1-bromo-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1,1-dichloroethane;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;hydride;oxido formate
CID 158928547
tert-butyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 139543388
1-[3-(1,1-dioxothian-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 157123693
3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530326
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(4,4-difluorocyclohexyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530511
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530386
dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate
CID 158093276

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate?
The IUPAC name of dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate (CID 158701049) is dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate.
What is the SMILES notation for dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate?
The canonical SMILES for dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate is CC(=O)N1CCn2c(C3CC3)nc(-c3ccc4c(c(-c5cnn(C)c5)nn4C)c3F)c2C1.CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c23)cn1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate?
The InChIKey is WXZJUTCFXOYKIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24FN7O.C18H22BFN4O2.C11H14IN3O.C2H4Cl2.CH2O3.2K.H/c1-13(32)30-8-9-31-18(12-30)22(26-23(31)14-4-5-14)16-6-7-17-19(20(16)24)21(27-29(17)3)15-10-25-28(2)11-15;1-17(2)18(3,4)26-19(25-17)12-7-8-13-14(15(12)20)16(22-24(13)6)11-9-21-23(5)10-11;1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8;1-2(3)4;2-1-4-3;;;/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3;7-10H,1-6H3;8H,2-6H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate?
dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate has a molecular weight of 1360.04 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate is sourced from PubChem (CID 158701049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).