5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C48H50BBrN10O2 — CID 158242633

IUPAC5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C5CCC5)n4)c3c2)OC1(C)C.Nc1cncc(-c2ccc3cnn(-c4cccc(C5CCC5)n4)c3c2)c1.Nc1cncc(Br)c1
InChIInChI=1S/C22H26BN3O2.C21H19N5.C5H5BrN2/c1-21(2)22(3,4)28-23(27-21)17-12-11-16-14-24-26(19(16)13-17)20-10-6-9-18(25-20)15-7-5-8-15;22-18-9-17(11-23-13-18)15-7-8-16-12-24-26(20(16)10-15)21-6-2-5-19(25-21)14-3-1-4-14;6-4-1-5(7)3-8-2-4/h6,9-15H,5,7-8H2,1-4H3;2,5-14H,1,3-4,22H2;1-3H,7H2
InChIKeyGFSRBJRGWHRELV-UHFFFAOYSA-N
MW889.71 g/mol
LogP9.75
Rot. Bonds6

About 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158242633) has the molecular formula C48H50BBrN10O2 and a molecular weight of 889.71 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID158242633
Molecular FormulaC48H50BBrN10O2
Molecular Weight889.71 g/mol
Exact Mass888.34
IUPAC Name5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C5CCC5)n4)c3c2)OC1(C)C.Nc1cncc(-c2ccc3cnn(-c4cccc(C5CCC5)n4)c3c2)c1.Nc1cncc(Br)c1
InChIInChI=1S/C22H26BN3O2.C21H19N5.C5H5BrN2/c1-21(2)22(3,4)28-23(27-21)17-12-11-16-14-24-26(19(16)13-17)20-10-6-9-18(25-20)15-7-5-8-15;22-18-9-17(11-23-13-18)15-7-8-16-12-24-26(20(16)10-15)21-6-2-5-19(25-21)14-3-1-4-14;6-4-1-5(7)3-8-2-4/h6,9-15H,5,7-8H2,1-4H3;2,5-14H,1,3-4,22H2;1-3H,7H2
InChIKeyGFSRBJRGWHRELV-UHFFFAOYSA-N
XLogP9.75
TPSA157.70 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.71
LogP ≤ 59.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole with MolForge

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Related Compounds

6-(6-bromopyrazin-2-yl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dibromopyrazine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 160590928
ethane;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 145002389
1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone;1-[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159885096
1-[6-(isocyanomethyl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798292
5-bromopyridin-3-amine;5-[3-(6-isocyano-2-pyridinyl)imidazo[1,5-a]pyridin-6-yl]pyridin-3-amine;3-(6-isocyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine
CID 161233640
5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
CID 140798264
1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
CID 118663810
2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
CID 140798345
2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
CID 140798454
1-(1-methylpiperidin-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 171466617
3-bromo-1,10-phenanthroline;2-methyl-5-(1,10-phenanthrolin-3-yl)isoindole-1,3-dione;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindole-1,3-dione
CID 159102893
1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798284

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158242633) is 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CC1(C)OB(c2ccc3cnn(-c4cccc(C5CCC5)n4)c3c2)OC1(C)C.Nc1cncc(-c2ccc3cnn(-c4cccc(C5CCC5)n4)c3c2)c1.Nc1cncc(Br)c1.
What is the InChIKey of 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is GFSRBJRGWHRELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BN3O2.C21H19N5.C5H5BrN2/c1-21(2)22(3,4)28-23(27-21)17-12-11-16-14-24-26(19(16)13-17)20-10-6-9-18(25-20)15-7-5-8-15;22-18-9-17(11-23-13-18)15-7-8-16-12-24-26(20(16)10-15)21-6-2-5-19(25-21)14-3-1-4-14;6-4-1-5(7)3-8-2-4/h6,9-15H,5,7-8H2,1-4H3;2,5-14H,1,3-4,22H2;1-3H,7H2.
What are the key properties of 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 889.71 g/mol, XLogP of 9.75, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-amine;5-[1-(6-cyclobutyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-cyclobutyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158242633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).