1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C48H58BIN14O4 — CID 158311732

IUPAC1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCCC(=O)N1CCn2cnc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CCC(=O)N1CCn2cnc(I)c2C1.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)cc23)cn1
InChIInChI=1S/C21H23N7O.C18H23BN4O2.C9H12IN3O/c1-4-19(29)27-7-8-28-13-22-21(18(28)12-27)14-5-6-17-16(9-14)20(24-26(17)3)15-10-23-25(2)11-15;1-17(2)18(3,4)25-19(24-17)13-7-8-15-14(9-13)16(21-23(15)6)12-10-20-22(5)11-12;1-2-8(14)12-3-4-13-6-11-9(10)7(13)5-12/h5-6,9-11,13H,4,7-8,12H2,1-3H3;7-11H,1-6H3;6H,2-5H2,1H3
InChIKeyGNTJQDIYIMPFBC-UHFFFAOYSA-N
MW1032.80 g/mol
LogP6.10
Rot. Bonds6

About 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158311732) has the molecular formula C48H58BIN14O4 and a molecular weight of 1032.80 g/mol. Its IUPAC name is 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID158311732
Molecular FormulaC48H58BIN14O4
Molecular Weight1032.80 g/mol
Exact Mass1032.39
IUPAC Name1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCCC(=O)N1CCn2cnc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CCC(=O)N1CCn2cnc(I)c2C1.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)cc23)cn1
InChIInChI=1S/C21H23N7O.C18H23BN4O2.C9H12IN3O/c1-4-19(29)27-7-8-28-13-22-21(18(28)12-27)14-5-6-17-16(9-14)20(24-26(17)3)15-10-23-25(2)11-15;1-17(2)18(3,4)25-19(24-17)13-7-8-15-14(9-13)16(21-23(15)6)12-10-20-22(5)11-12;1-2-8(14)12-3-4-13-6-11-9(10)7(13)5-12/h5-6,9-11,13H,4,7-8,12H2,1-3H3;7-11H,1-6H3;6H,2-5H2,1H3
InChIKeyGNTJQDIYIMPFBC-UHFFFAOYSA-N
XLogP6.10
TPSA166.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.80
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole with MolForge

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Related Compounds

US11058688, Example 53
CID 139530305
US11058688, Example 49
CID 139530311
US11058688, Example 46
CID 139530334
US11058688, Example 32
CID 139530335
US11058688, Example 1
CID 139530345
US11058688, Example 47
CID 139530415
US11058688, Example 55
CID 139530416
US11058688, Example 12
CID 139530439
US11058688, Example 51
CID 139530459
US11058688, Example 54
CID 139530500
US11058688, Example 56
CID 139530528
US11058688, Example 16
CID 139543437

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158311732) is 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CCC(=O)N1CCn2cnc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CCC(=O)N1CCn2cnc(I)c2C1.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)cc23)cn1.
What is the InChIKey of 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is GNTJQDIYIMPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O.C18H23BN4O2.C9H12IN3O/c1-4-19(29)27-7-8-28-13-22-21(18(28)12-27)14-5-6-17-16(9-14)20(24-26(17)3)15-10-23-25(2)11-15;1-17(2)18(3,4)25-19(24-17)13-7-8-15-14(9-13)16(21-23(15)6)12-10-20-22(5)11-12;1-2-8(14)12-3-4-13-6-11-9(10)7(13)5-12/h5-6,9-11,13H,4,7-8,12H2,1-3H3;7-11H,1-6H3;6H,2-5H2,1H3.
What are the key properties of 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1032.80 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[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;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158311732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).