1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C84H77F9N16O10 — CID 160932960

IUPAC1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCCCCC(=O)c1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1cnn(C)c1.CCOc1ccc(-n2cc(-c3cnn(C)c3)c(OC)cc2=O)c(C)c1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2NCc2ccccn2)cn1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2NCc2cccnc2)cn1
InChIInChI=1S/2C22H18F3N5O2.C21H20F3N3O3.C19H21N3O3/c1-29-13-16(12-28-29)19-14-30(17-4-6-18(7-5-17)32-22(23,24)25)21(31)9-20(19)27-11-15-3-2-8-26-10-15;1-29-13-15(11-28-29)19-14-30(17-5-7-18(8-6-17)32-22(23,24)25)21(31)10-20(19)27-12-16-4-2-3-9-26-16;1-3-4-5-19(28)17-10-20(29)27(13-18(17)14-11-25-26(2)12-14)15-6-8-16(9-7-15)30-21(22,23)24;1-5-25-15-6-7-17(13(2)8-15)22-12-16(14-10-20-21(3)11-14)18(24-4)9-19(22)23/h2-10,12-14,27H,11H2,1H3;2-11,13-14,27H,12H2,1H3;6-13H,3-5H2,1-2H3;6-12H,5H2,1-4H3
InChIKeySTMQBCJBIIJOAT-UHFFFAOYSA-N
MW1641.62 g/mol
LogP15.75
Rot. Bonds24

About 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 160932960) has the molecular formula C84H77F9N16O10 and a molecular weight of 1641.62 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID160932960
Molecular FormulaC84H77F9N16O10
Molecular Weight1641.62 g/mol
Exact Mass1640.59
IUPAC Name1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCCCCC(=O)c1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1cnn(C)c1.CCOc1ccc(-n2cc(-c3cnn(C)c3)c(OC)cc2=O)c(C)c1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2NCc2ccccn2)cn1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2NCc2cccnc2)cn1
InChIInChI=1S/2C22H18F3N5O2.C21H20F3N3O3.C19H21N3O3/c1-29-13-16(12-28-29)19-14-30(17-4-6-18(7-5-17)32-22(23,24)25)21(31)9-20(19)27-11-15-3-2-8-26-10-15;1-29-13-15(11-28-29)19-14-30(17-5-7-18(8-6-17)32-22(23,24)25)21(31)10-20(19)27-12-16-4-2-3-9-26-16;1-3-4-5-19(28)17-10-20(29)27(13-18(17)14-11-25-26(2)12-14)15-6-8-16(9-7-15)30-21(22,23)24;1-5-25-15-6-7-17(13(2)8-15)22-12-16(14-10-20-21(3)11-14)18(24-4)9-19(22)23/h2-10,12-14,27H,11H2,1H3;2-11,13-14,27H,12H2,1H3;6-13H,3-5H2,1-2H3;6-12H,5H2,1-4H3
InChIKeySTMQBCJBIIJOAT-UHFFFAOYSA-N
XLogP15.75
TPSA272.34 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.62
LogP ≤ 515.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 160932960) is 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is CCCCC(=O)c1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1cnn(C)c1.CCOc1ccc(-n2cc(-c3cnn(C)c3)c(OC)cc2=O)c(C)c1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2NCc2ccccn2)cn1.Cn1cc(-c2cn(-c3ccc(OC(F)(F)F)cc3)c(=O)cc2NCc2cccnc2)cn1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is STMQBCJBIIJOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18F3N5O2.C21H20F3N3O3.C19H21N3O3/c1-29-13-16(12-28-29)19-14-30(17-4-6-18(7-5-17)32-22(23,24)25)21(31)9-20(19)27-11-15-3-2-8-26-10-15;1-29-13-15(11-28-29)19-14-30(17-5-7-18(8-6-17)32-22(23,24)25)21(31)10-20(19)27-12-16-4-2-3-9-26-16;1-3-4-5-19(28)17-10-20(29)27(13-18(17)14-11-25-26(2)12-14)15-6-8-16(9-7-15)30-21(22,23)24;1-5-25-15-6-7-17(13(2)8-15)22-12-16(14-10-20-21(3)11-14)18(24-4)9-19(22)23/h2-10,12-14,27H,11H2,1H3;2-11,13-14,27H,12H2,1H3;6-13H,3-5H2,1-2H3;6-12H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 1641.62 g/mol, XLogP of 15.75, 24 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-2-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one;5-(1-methylpyrazol-4-yl)-4-(pyridin-3-ylmethylamino)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 160932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).