2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride

C73H61Cl8F6N15O11 — CID 159128005

About 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride

2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride (PubChem CID 159128005) has the molecular formula C73H61Cl8F6N15O11 and a molecular weight of 1722.00 g/mol. Its IUPAC name is 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride
• PubChem CID: 159128005
• Molecular Formula: C73H61Cl8F6N15O11
• Molecular Weight: 1722.00 g/mol
• Exact Mass: 1717.21
• IUPAC Name: 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1cc(F)c(F)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cc(F)c(F)cc4N)nc3n(C)c2=O)c1Cl.Nc1cc(F)c(F)cc1N
• InChI: InChI=1S/C25H19Cl2F2N5O4.C22H17Cl2F2N5O3.C16H12Cl3N3O3.C6H6F2N2.C3H3ClO.CH4/c1-5-19(35)31-15-7-13(28)14(29)8-16(15)32-25-30-10-11-6-12(24(36)34(2)23(11)33-25)20-21(26)17(37-3)9-18(38-4)22(20)27;1-31-20-9(8-28-22(30-20)29-14-6-12(26)11(25)5-13(14)27)4-10(21(31)32)17-18(23)15(33-2)7-16(34-3)19(17)24;1-22-14-7(6-20-16(19)21-14)4-8(15(22)23)11-12(17)9(24-2)5-10(25-3)13(11)18;7-3-1-5(9)6(10)2-4(3)8;1-2-3(4)5;/h5-10H,1H2,2-4H3,(H,31,35)(H,30,32,33);4-8H,27H2,1-3H3,(H,28,29,30);4-6H,1-3H3;1-2H,9-10H2;2H,1H2;1H4
• InChIKey: KGNFEJCDUJIYJV-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 347.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1722.00
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride?

The IUPAC name of 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride (CID 159128005) is 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride.

What is the SMILES notation for 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride?

The canonical SMILES for 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)Nc1cc(F)c(F)cc1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1.COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)nc3n(C)c2=O)c1Cl.COc1cc(OC)c(Cl)c(-c2cc3cnc(Nc4cc(F)c(F)cc4N)nc3n(C)c2=O)c1Cl.Nc1cc(F)c(F)cc1N.

What is the InChIKey of 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride?

The InChIKey is KGNFEJCDUJIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F2N5O4.C22H17Cl2F2N5O3.C16H12Cl3N3O3.C6H6F2N2.C3H3ClO.CH4/c1-5-19(35)31-15-7-13(28)14(29)8-16(15)32-25-30-10-11-6-12(24(36)34(2)23(11)33-25)20-21(26)17(37-3)9-18(38-4)22(20)27;1-31-20-9(8-28-22(30-20)29-14-6-12(26)11(25)5-13(14)27)4-10(21(31)32)17-18(23)15(33-2)7-16(34-3)19(17)24;1-22-14-7(6-20-16(19)21-14)4-8(15(22)23)11-12(17)9(24-2)5-10(25-3)13(11)18;7-3-1-5(9)6(10)2-4(3)8;1-2-3(4)5;/h5-10H,1H2,2-4H3,(H,31,35)(H,30,32,33);4-8H,27H2,1-3H3,(H,28,29,30);4-6H,1-3H3;1-2H,9-10H2;2H,1H2;1H4.

What are the key properties of 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride?

2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride has a molecular weight of 1722.00 g/mol, XLogP of 17.07, 16 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-4,5-difluoroanilino)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[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]-4,5-difluorophenyl]prop-2-enamide;4,5-difluorobenzene-1,2-diamine;methane;prop-2-enoyl chloride is sourced from PubChem (CID 159128005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).