4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C90H76BrCl3F5N21O9 — CID 158737387

IUPAC4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)c(F)c2)n1.Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)nn1.Nc1ncc(-c2ccc(=O)[nH]c2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(Br)nc1-c1cc(F)c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C24H22ClFN6O2.C24H20FN5O3.C23H20ClFN6O2.C19H14BrClF2N4O2/c1-13-18(11-32(2)31-13)20-10-28-23(27)22(29-20)15-6-7-17(19(26)9-15)24(34)30-21(12-33)14-4-3-5-16(25)8-14;25-18-10-15(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;1-31-11-20(29-30-31)15-8-18(22(26)27-10-15)13-5-6-17(19(25)9-13)23(33)28-21(12-32)14-3-2-4-16(24)7-14;20-15-7-25-18(24)17(27-15)10-5-12(22)16(13(23)6-10)19(29)26-14(8-28)9-2-1-3-11(21)4-9/h3-11,21,33H,12H2,1-2H3,(H2,27,28)(H,30,34);1-12,20,31H,13H2,(H2,26,28)(H,27,32)(H,30,33);2-11,21,32H,12H2,1H3,(H2,26,27)(H,28,33);1-7,14,28H,8H2,(H2,24,25)(H,26,29)/t21-;20-;21-;14-/m1111/s1
InChIKeyILVSLUGRMPFRPA-KHKZYWFJSA-N
MW1876.99 g/mol
LogP13.64
Rot. Bonds23

About 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 158737387) has the molecular formula C90H76BrCl3F5N21O9 and a molecular weight of 1876.99 g/mol. Its IUPAC name is 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID158737387
Molecular FormulaC90H76BrCl3F5N21O9
Molecular Weight1876.99 g/mol
Exact Mass1873.43
IUPAC Name4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)c(F)c2)n1.Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)nn1.Nc1ncc(-c2ccc(=O)[nH]c2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(Br)nc1-c1cc(F)c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C24H22ClFN6O2.C24H20FN5O3.C23H20ClFN6O2.C19H14BrClF2N4O2/c1-13-18(11-32(2)31-13)20-10-28-23(27)22(29-20)15-6-7-17(19(26)9-15)24(34)30-21(12-33)14-4-3-5-16(25)8-14;25-18-10-15(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;1-31-11-20(29-30-31)15-8-18(22(26)27-10-15)13-5-6-17(19(25)9-13)23(33)28-21(12-32)14-3-2-4-16(24)7-14;20-15-7-25-18(24)17(27-15)10-5-12(22)16(13(23)6-10)19(29)26-14(8-28)9-2-1-3-11(21)4-9/h3-11,21,33H,12H2,1-2H3,(H2,27,28)(H,30,34);1-12,20,31H,13H2,(H2,26,28)(H,27,32)(H,30,33);2-11,21,32H,12H2,1H3,(H2,26,27)(H,28,33);1-7,14,28H,8H2,(H2,24,25)(H,26,29)/t21-;20-;21-;14-/m1111/s1
InChIKeyILVSLUGRMPFRPA-KHKZYWFJSA-N
XLogP13.64
TPSA473.02 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.99
LogP ≤ 513.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide with MolForge

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Related Compounds

4-[2-amino-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyridin-3-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045490
4-[2-amino-5-[1-(difluoromethyl)-5-methylpyrazol-4-yl]pyridin-3-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045570
4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045726
4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045730
4-[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045806
(S)-4-(3-amino-6-(1,3-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118045815
4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046078
4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046938
4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 118054696
4-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide
CID 118056065
4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 118045192
4-[2-amino-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-pyridinyl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045494

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 158737387) is 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Cc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)c(F)c2)n1.Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)nn1.Nc1ncc(-c2ccc(=O)[nH]c2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1.Nc1ncc(Br)nc1-c1cc(F)c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is ILVSLUGRMPFRPA-KHKZYWFJSA-N. The full InChI is InChI=1S/C24H22ClFN6O2.C24H20FN5O3.C23H20ClFN6O2.C19H14BrClF2N4O2/c1-13-18(11-32(2)31-13)20-10-28-23(27)22(29-20)15-6-7-17(19(26)9-15)24(34)30-21(12-33)14-4-3-5-16(25)8-14;25-18-10-15(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;1-31-11-20(29-30-31)15-8-18(22(26)27-10-15)13-5-6-17(19(25)9-13)23(33)28-21(12-32)14-3-2-4-16(24)7-14;20-15-7-25-18(24)17(27-15)10-5-12(22)16(13(23)6-10)19(29)26-14(8-28)9-2-1-3-11(21)4-9/h3-11,21,33H,12H2,1-2H3,(H2,27,28)(H,30,34);1-12,20,31H,13H2,(H2,26,28)(H,27,32)(H,30,33);2-11,21,32H,12H2,1H3,(H2,26,27)(H,28,33);1-7,14,28H,8H2,(H2,24,25)(H,26,29)/t21-;20-;21-;14-/m1111/s1.
What are the key properties of 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 1876.99 g/mol, XLogP of 13.64, 23 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-bromopyrazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide;4-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 158737387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).