5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen

C82H95N17O7 — CID 158582530

IUPAC5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
SMILESCCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(C)(C)N)c4)no3)n2)ccc1=O.Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CC3)cc2)no1.Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCOC3)cc2)no1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H28N6O3.C27H26N6O2.C27H31N5O2.5H2/c1-18-27(32-24(14-30-18)21-8-9-26(35)34(15-21)28(2,3)17-29)25-12-23(33-37-25)20-6-4-19(5-7-20)13-31-22-10-11-36-16-22;1-17-26(31-23(14-29-17)20-8-11-25(34)33(15-20)27(2,3)16-28)24-12-22(32-35-24)19-6-4-18(5-7-19)13-30-21-9-10-21;1-6-21(7-2)32-16-19(11-12-25(32)33)23-15-29-17(3)26(30-23)24-14-22(31-34-24)18-9-8-10-20(13-18)27(4,5)28;;;;;/h4-9,12,14-15,22,31H,10-11,13,16H2,1-3H3;4-8,11-12,14-15,21,30H,9-10,13H2,1-3H3;8-16,21H,6-7,28H2,1-5H3;5*1H
InChIKeyHTKUOVPWQTUENW-UHFFFAOYSA-N
MW1430.77 g/mol
LogP15.24
Rot. Bonds21

About 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen

5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen (PubChem CID 158582530) has the molecular formula C82H95N17O7 and a molecular weight of 1430.77 g/mol. Its IUPAC name is 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen.

Molecular Properties

Compound Name5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
PubChem CID158582530
Molecular FormulaC82H95N17O7
Molecular Weight1430.77 g/mol
Exact Mass1429.76
IUPAC Name5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
SMILESCCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(C)(C)N)c4)no3)n2)ccc1=O.Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CC3)cc2)no1.Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCOC3)cc2)no1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H28N6O3.C27H26N6O2.C27H31N5O2.5H2/c1-18-27(32-24(14-30-18)21-8-9-26(35)34(15-21)28(2,3)17-29)25-12-23(33-37-25)20-6-4-19(5-7-20)13-31-22-10-11-36-16-22;1-17-26(31-23(14-29-17)20-8-11-25(34)33(15-20)27(2,3)16-28)24-12-22(32-35-24)19-6-4-18(5-7-19)13-30-21-9-10-21;1-6-21(7-2)32-16-19(11-12-25(32)33)23-15-29-17(3)26(30-23)24-14-22(31-34-24)18-9-8-10-20(13-18)27(4,5)28;;;;;/h4-9,12,14-15,22,31H,10-11,13,16H2,1-3H3;4-8,11-12,14-15,21,30H,9-10,13H2,1-3H3;8-16,21H,6-7,28H2,1-5H3;5*1H
InChIKeyHTKUOVPWQTUENW-UHFFFAOYSA-N
XLogP15.24
TPSA328.32 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.77
LogP ≤ 515.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The IUPAC name of 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen (CID 158582530) is 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen.
What is the SMILES notation for 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The canonical SMILES for 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen is CCC(CC)n1cc(-c2cnc(C)c(-c3cc(-c4cccc(C(C)(C)N)c4)no3)n2)ccc1=O.Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CC3)cc2)no1.Cc1ncc(-c2ccc(=O)n(C(C)(C)C#N)c2)nc1-c1cc(-c2ccc(CNC3CCOC3)cc2)no1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
The InChIKey is HTKUOVPWQTUENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3.C27H26N6O2.C27H31N5O2.5H2/c1-18-27(32-24(14-30-18)21-8-9-26(35)34(15-21)28(2,3)17-29)25-12-23(33-37-25)20-6-4-19(5-7-20)13-31-22-10-11-36-16-22;1-17-26(31-23(14-29-17)20-8-11-25(34)33(15-20)27(2,3)16-28)24-12-22(32-35-24)19-6-4-18(5-7-19)13-30-21-9-10-21;1-6-21(7-2)32-16-19(11-12-25(32)33)23-15-29-17(3)26(30-23)24-14-22(31-34-24)18-9-8-10-20(13-18)27(4,5)28;;;;;/h4-9,12,14-15,22,31H,10-11,13,16H2,1-3H3;4-8,11-12,14-15,21,30H,9-10,13H2,1-3H3;8-16,21H,6-7,28H2,1-5H3;5*1H.
What are the key properties of 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen?
5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen has a molecular weight of 1430.77 g/mol, XLogP of 15.24, 21 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen is sourced from PubChem (CID 158582530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).