2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride

C99H77Cl9F12N20O20S — CID 158858884

About 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride

2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride (PubChem CID 158858884) has the molecular formula C99H77Cl9F12N20O20S and a molecular weight of 2445.94 g/mol. Its IUPAC name is 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride
• PubChem CID: 158858884
• Molecular Formula: C99H77Cl9F12N20O20S
• Molecular Weight: 2445.94 g/mol
• Exact Mass: 2440.23
• IUPAC Name: 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1ccc(C(F)(F)F)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cc(C(F)(F)F)ccc4N)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cc(C(F)(F)F)ccc4[N+](=O)[O-])nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(S(C)(=O)=O)nc3n(C)c2=O)c1Cl.Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C26H20Cl2F3N5O4.C23H16Cl2F3N5O5.C23H18Cl2F3N5O3.C17H15Cl2N3O5S.C7H5F3N2O2.C3H3ClO/c1-5-19(37)33-15-7-6-13(26(29,30)31)9-16(15)34-25-32-11-12-8-14(24(38)36(2)23(12)35-25)20-21(27)17(39-3)10-18(40-4)22(20)28;1-32-20-10(6-12(21(32)34)17-18(24)15(37-2)8-16(38-3)19(17)25)9-29-22(31-20)30-13-7-11(23(26,27)28)4-5-14(13)33(35)36;1-33-20-10(6-12(21(33)34)17-18(24)15(35-2)8-16(36-3)19(17)25)9-30-22(32-20)31-14-7-11(23(26,27)28)4-5-13(14)29;1-22-15-8(7-20-17(21-15)28(4,24)25)5-9(16(22)23)12-13(18)10(26-2)6-11(27-3)14(12)19;8-7(9,10)4-1-2-6(12(13)14)5(11)3-4;1-2-3(4)5/h5-11H,1H2,2-4H3,(H,33,37)(H,32,34,35);4-9H,1-3H3,(H,29,30,31);4-9H,29H2,1-3H3,(H,30,31,32);5-7H,1-4H3;1-3H,11H2;2H,1H2
• InChIKey: JAKFMWLXIXMTTM-UHFFFAOYSA-N
• XLogP: 23.72
• TPSA: 519.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.94
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride?

The IUPAC name of 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride (CID 158858884) is 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride.

What is the SMILES notation for 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride?

The canonical SMILES for 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1ccc(C(F)(F)F)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cc(C(F)(F)F)ccc4N)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cc(C(F)(F)F)ccc4[N+](=O)[O-])nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(S(C)(=O)=O)nc3n(C)c2=O)c1Cl.Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-].

What is the InChIKey of 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride?

The InChIKey is JAKFMWLXIXMTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2F3N5O4.C23H16Cl2F3N5O5.C23H18Cl2F3N5O3.C17H15Cl2N3O5S.C7H5F3N2O2.C3H3ClO/c1-5-19(37)33-15-7-6-13(26(29,30)31)9-16(15)34-25-32-11-12-8-14(24(38)36(2)23(12)35-25)20-21(27)17(39-3)10-18(40-4)22(20)28;1-32-20-10(6-12(21(32)34)17-18(24)15(37-2)8-16(38-3)19(17)25)9-29-22(31-20)30-13-7-11(23(26,27)28)4-5-14(13)33(35)36;1-33-20-10(6-12(21(33)34)17-18(24)15(35-2)8-16(36-3)19(17)25)9-30-22(32-20)31-14-7-11(23(26,27)28)4-5-13(14)29;1-22-15-8(7-20-17(21-15)28(4,24)25)5-9(16(22)23)12-13(18)10(26-2)6-11(27-3)14(12)19;8-7(9,10)4-1-2-6(12(13)14)5(11)3-4;1-2-3(4)5/h5-11H,1H2,2-4H3,(H,33,37)(H,32,34,35);4-9H,1-3H3,(H,29,30,31);4-9H,29H2,1-3H3,(H,30,31,32);5-7H,1-4H3;1-3H,11H2;2H,1H2.

What are the key properties of 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride?

2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride has a molecular weight of 2445.94 g/mol, XLogP of 23.72, 24 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(trifluoromethyl)anilino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[2-nitro-5-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-(trifluoromethyl)phenyl]prop-2-enamide;2-nitro-5-(trifluoromethyl)aniline;prop-2-enoyl chloride is sourced from PubChem (CID 158858884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).