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

C60H71BIN7O6 — CID 157100455

About 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

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 (PubChem CID 157100455) has the molecular formula C60H71BIN7O6 and a molecular weight of 1123.99 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157100455
• Molecular Formula: C60H71BIN7O6
• Molecular Weight: 1123.99 g/mol
• Exact Mass: 1123.46
• IUPAC Name: 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
• SMILES: CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cc1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2cc1C1=CCOCC1
• InChI: InChI=1S/C26H28N4O2.C22H27BO3.C12H16IN3O/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;1-15-13-19-17(14-18(15)16-9-11-24-12-10-16)7-6-8-20(19)23-25-21(2,3)22(4,5)26-23;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8/h3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3;6-9,13-14H,10-12H2,1-5H3;8H,2-7H2,1H3
• InChIKey: AFRZFPDNGYUYBF-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 126.07 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.99
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(C5=CCOCC5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cc1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2cc1C1=CCOCC1.

What is the InChIKey of 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?

The InChIKey is AFRZFPDNGYUYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C22H27BO3.C12H16IN3O/c1-2-24(31)29-10-11-30-23(16-29)25(28-26(30)18-6-7-18)20-5-3-4-19-14-22(27-15-21(19)20)17-8-12-32-13-9-17;1-15-13-19-17(14-18(15)16-9-11-24-12-10-16)7-6-8-20(19)23-25-21(2,3)22(4,5)26-23;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8/h3-5,8,14-15,18H,2,6-7,9-13,16H2,1H3;6-9,13-14H,10-12H2,1-5H3;8H,2-7H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 1123.99 g/mol, XLogP of 10.90, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157100455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).