5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

About 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 157339621) has the molecular formula C73H60B2Br3F2N13O4 and a molecular weight of 1482.70 g/mol. Its IUPAC name is 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name	5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID	157339621
Molecular Formula	C73H60B2Br3F2N13O4
Molecular Weight	1482.70 g/mol
Exact Mass	1479.26
IUPAC Name	5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES	Brc1ccc(Br)c2cnccc12.Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3ccncc23)cn1.Cn1cc(-c2ccc(Br)c3ccncc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.OB(O)c1cc(-c2ccccc2F)nc2ncccc12
InChI	InChI=1S/C27H18FN5.C14H10BFN2O2.C13H10BrN3.C10H17BN2O2.C9H5Br2N/c1-33-16-17(14-31-33)18-8-9-19(20-10-12-29-15-24(18)20)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;1-17-8-9(6-16-17)10-2-3-13(14)11-4-5-15-7-12(10)11;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;10-8-1-2-9(11)7-5-12-4-3-6(7)8/h2-16H,1H3;1-8,19-20H;2-8H,1H3;6-7H,1-5H3;1-5H
InChIKey	BGGABNVBPFKOQX-UHFFFAOYSA-N
XLogP	15.04
TPSA	202.61 Å²
H-Bond Donors	2
H-Bond Acceptors	17
Rotatable Bonds	7
Heavy Atoms	97
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.70
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 157339621) is 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Brc1ccc(Br)c2cnccc12.Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3ccncc23)cn1.Cn1cc(-c2ccc(Br)c3ccncc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.

What is the InChIKey of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is BGGABNVBPFKOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN5.C14H10BFN2O2.C13H10BrN3.C10H17BN2O2.C9H5Br2N/c1-33-16-17(14-31-33)18-8-9-19(20-10-12-29-15-24(18)20)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;1-17-8-9(6-16-17)10-2-3-13(14)11-4-5-15-7-12(10)11;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;10-8-1-2-9(11)7-5-12-4-3-6(7)8/h2-16H,1H3;1-8,19-20H;2-8H,1H3;6-7H,1-5H3;1-5H.

What are the key properties of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

Where does this data come from?

All data for 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 157339621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).