6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C46H38BBrF2N12O2 — CID 158034720

IUPAC6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccnc2)OC1(C)C.Nc1nc(-c2cccnc2)c(-c2cc(F)c3ncccc3c2)n2ccnc12.Nc1nc(Br)c(-c2cc(F)c3ncccc3c2)n2ccnc12
InChIInChI=1S/C20H13FN6.C15H9BrFN5.C11H16BNO2/c21-15-10-14(9-12-3-2-6-24-16(12)15)18-17(13-4-1-5-23-11-13)26-19(22)20-25-7-8-27(18)20;16-13-12(22-5-4-20-15(22)14(18)21-13)9-6-8-2-1-3-19-11(8)10(17)7-9;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h1-11H,(H2,22,26);1-7H,(H2,18,21);5-8H,1-4H3
InChIKeyFHPMMTXJBBGLRD-UHFFFAOYSA-N
MW919.60 g/mol
LogP8.54
Rot. Bonds4

About 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158034720) has the molecular formula C46H38BBrF2N12O2 and a molecular weight of 919.60 g/mol. Its IUPAC name is 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID158034720
Molecular FormulaC46H38BBrF2N12O2
Molecular Weight919.60 g/mol
Exact Mass918.25
IUPAC Name6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccnc2)OC1(C)C.Nc1nc(-c2cccnc2)c(-c2cc(F)c3ncccc3c2)n2ccnc12.Nc1nc(Br)c(-c2cc(F)c3ncccc3c2)n2ccnc12
InChIInChI=1S/C20H13FN6.C15H9BrFN5.C11H16BNO2/c21-15-10-14(9-12-3-2-6-24-16(12)15)18-17(13-4-1-5-23-11-13)26-19(22)20-25-7-8-27(18)20;16-13-12(22-5-4-20-15(22)14(18)21-13)9-6-8-2-1-3-19-11(8)10(17)7-9;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h1-11H,(H2,22,26);1-7H,(H2,18,21);5-8H,1-4H3
InChIKeyFHPMMTXJBBGLRD-UHFFFAOYSA-N
XLogP8.54
TPSA182.44 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.60
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

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Related Compounds

2-[[4-[[3-[1-[4-[(5-Amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperazin-1-yl]ethyl]phenyl]methyl]piperazin-1-yl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
CID 138721026
3-[4-[6-Bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-7-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
CID 142454337
3-[4-[6-Bromo-2-[6-bromo-3-[7-[6-bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]quinolin-3-yl]imidazo[1,2-a]pyridin-8-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]aniline
CID 142454341
N-[4-[2-acetamido-6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;(4-acetamidophenyl)boronic acid;N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-bromoimidazo[1,2-a]pyridin-2-yl]acetamide;methane
CID 157460920
8-[4-[3-(8-Fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
CID 160927126
2-[4-[3-(8-Fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,8-diazaspiro[4.5]decane
CID 160927127
2-[4-[3-(8-Fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2,9-diazaspiro[4.5]decane
CID 160927128
9-[4-[3-(8-Fluoro-2,6-dimethylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-1,9-diazaspiro[5.5]undecane
CID 161401800
2,3-Dipyridin-2-yl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-f]phenanthridine
CID 58037657
6-([2,2'-Bipyridin]-6-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[4,5]imidazo[1,2-f]phenanthridine
CID 58037708
10-(4,4-Dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine
CID 68025714
6-Bromo-3-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine;3-(6-bromoimidazo[1,2-a]pyridin-3-yl)quinoline
CID 142454338

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158034720) is 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cccnc2)OC1(C)C.Nc1nc(-c2cccnc2)c(-c2cc(F)c3ncccc3c2)n2ccnc12.Nc1nc(Br)c(-c2cc(F)c3ncccc3c2)n2ccnc12.
What is the InChIKey of 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is FHPMMTXJBBGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6.C15H9BrFN5.C11H16BNO2/c21-15-10-14(9-12-3-2-6-24-16(12)15)18-17(13-4-1-5-23-11-13)26-19(22)20-25-7-8-27(18)20;16-13-12(22-5-4-20-15(22)14(18)21-13)9-6-8-2-1-3-19-11(8)10(17)7-9;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h1-11H,(H2,22,26);1-7H,(H2,18,21);5-8H,1-4H3.
What are the key properties of 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 919.60 g/mol, XLogP of 8.54, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158034720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).