4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C73H70BBr4FN14O10 — CID 159912086

IUPAC4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)OC1(C)C.Nc1ncc(-c2ccc(=O)[nH]c2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(Br)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1.Nc1ncc(Br)nc1Br.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C24H20FN5O3.C21H26BNO4.C19H17BrN4O2.C5H4BrNO.C4H3Br2N3/c25-18-10-15(22-23(26)28-12-19(29-22)16-7-9-21(32)27-11-16)6-8-17(18)24(33)30-20(13-31)14-4-2-1-3-5-14;1-20(2)21(3,4)27-22(26-20)17-12-10-16(11-13-17)19(25)23-18(14-24)15-8-6-5-7-9-15;20-16-10-22-18(21)17(24-16)13-6-8-14(9-7-13)19(26)23-15(11-25)12-4-2-1-3-5-12;6-4-1-2-5(8)7-3-4;5-2-1-8-4(7)3(6)9-2/h1-12,20,31H,13H2,(H2,26,28)(H,27,32)(H,30,33);5-13,18,24H,14H2,1-4H3,(H,23,25);1-10,15,25H,11H2,(H2,21,22)(H,23,26);1-3H,(H,7,8);1H,(H2,7,8)/t20-;18-;15-;;/m111../s1
InChIKeyNXHMXHJRIWNATJ-FUAIHGIVSA-N
MW1652.88 g/mol
LogP10.81
Rot. Bonds16

About 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 159912086) has the molecular formula C73H70BBr4FN14O10 and a molecular weight of 1652.88 g/mol. Its IUPAC name is 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID159912086
Molecular FormulaC73H70BBr4FN14O10
Molecular Weight1652.88 g/mol
Exact Mass1648.22
IUPAC Name4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)OC1(C)C.Nc1ncc(-c2ccc(=O)[nH]c2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(Br)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1.Nc1ncc(Br)nc1Br.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C24H20FN5O3.C21H26BNO4.C19H17BrN4O2.C5H4BrNO.C4H3Br2N3/c25-18-10-15(22-23(26)28-12-19(29-22)16-7-9-21(32)27-11-16)6-8-17(18)24(33)30-20(13-31)14-4-2-1-3-5-14;1-20(2)21(3,4)27-22(26-20)17-12-10-16(11-13-17)19(25)23-18(14-24)15-8-6-5-7-9-15;20-16-10-22-18(21)17(24-16)13-6-8-14(9-7-13)19(26)23-15(11-25)12-4-2-1-3-5-12;6-4-1-2-5(8)7-3-4;5-2-1-8-4(7)3(6)9-2/h1-12,20,31H,13H2,(H2,26,28)(H,27,32)(H,30,33);5-13,18,24H,14H2,1-4H3,(H,23,25);1-10,15,25H,11H2,(H2,21,22)(H,23,26);1-3H,(H,7,8);1H,(H2,7,8)/t20-;18-;15-;;/m111../s1
InChIKeyNXHMXHJRIWNATJ-FUAIHGIVSA-N
XLogP10.81
TPSA387.57 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001652.88
LogP ≤ 510.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide with MolForge

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Related Compounds

4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045402
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045595
4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 118045403
4-(3-amino-6-bromopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045580
4-(3-amino-6-bromopyrazin-2-yl)-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 118045581
4-[3-amino-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 118045597
4-[3-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 123429912
4-[3-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 123852107
4-[3-amino-6-[(1S,4S)-3,3-difluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide;4-[3-amino-6-[(1R,4R)-3,3-difluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluoro-N-[(1S)-1-(3-fluoro-5-iodophenyl)-2-hydroxyethyl]benzamide;4-[3-amino-6-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 160228124
5-Bromopyrazin-2-amine;1-(5-bromopyrazin-2-yl)-3-cyclohexylurea;2-[6-[5-(cyclohexylcarbamoylamino)pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid;ethyl 2-[6-[5-(cyclohexylcarbamoylamino)pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;ethyl 2-[1-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate
CID 161131027
4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-[3-(difluoromethyl)phenyl]-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-methylbenzamide
CID 161665573
4-[3-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 140673359

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 159912086) is 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CC1(C)OB(c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)OC1(C)C.Nc1ncc(-c2ccc(=O)[nH]c2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(Br)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1.Nc1ncc(Br)nc1Br.O=c1ccc(Br)c[nH]1.
What is the InChIKey of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is NXHMXHJRIWNATJ-FUAIHGIVSA-N. The full InChI is InChI=1S/C24H20FN5O3.C21H26BNO4.C19H17BrN4O2.C5H4BrNO.C4H3Br2N3/c25-18-10-15(22-23(26)28-12-19(29-22)16-7-9-21(32)27-11-16)6-8-17(18)24(33)30-20(13-31)14-4-2-1-3-5-14;1-20(2)21(3,4)27-22(26-20)17-12-10-16(11-13-17)19(25)23-18(14-24)15-8-6-5-7-9-15;20-16-10-22-18(21)17(24-16)13-6-8-14(9-7-13)19(26)23-15(11-25)12-4-2-1-3-5-12;6-4-1-2-5(8)7-3-4;5-2-1-8-4(7)3(6)9-2/h1-12,20,31H,13H2,(H2,26,28)(H,27,32)(H,30,33);5-13,18,24H,14H2,1-4H3,(H,23,25);1-10,15,25H,11H2,(H2,21,22)(H,23,26);1-3H,(H,7,8);1H,(H2,7,8)/t20-;18-;15-;;/m111../s1.
What are the key properties of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 1652.88 g/mol, XLogP of 10.81, 16 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;5-bromo-1H-pyridin-2-one;3,5-dibromopyrazin-2-amine;N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 159912086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).