6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide

C122H121Cl10N23O21 — CID 159521268

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide

6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide (PubChem CID 159521268) has the molecular formula C122H121Cl10N23O21 and a molecular weight of 2599.98 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide
• PubChem CID: 159521268
• Molecular Formula: C122H121Cl10N23O21
• Molecular Weight: 2599.98 g/mol
• Exact Mass: 2593.60
• IUPAC Name: 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide
• SMILES: C=CC(=O)C[C@H]1CCNC[C@H]1Nc1cc2c(=O)[nH]c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1CCNC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)[nH]c(=O)c2n1.C=CC(=O)C[C@H]1CCNC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)n(C)c(=O)c2n1.C=CC(=O)N[C@H]1CNC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)[nH]c(=O)c2n1.C=CC(=O)Nc1cccc(C)c1Nc1cc2c(=O)oc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C26H21Cl2N3O5.C25H27Cl2N5O4.C25H26Cl2N4O4.C24H25Cl2N5O4.C22H22Cl2N6O4/c1-5-21(32)30-16-8-6-7-13(2)25(16)31-20-10-15-14(12-29-20)9-17(36-26(15)33)22-23(27)18(34-3)11-19(35-4)24(22)28;1-5-15(33)8-13-6-7-28-12-16(13)30-25-29-11-14-9-17(32(2)24(34)23(14)31-25)20-21(26)18(35-3)10-19(36-4)22(20)27;1-4-15(32)7-13-5-6-28-12-18(13)30-21-9-16-14(11-29-21)8-17(31-25(16)33)22-23(26)19(34-2)10-20(35-3)24(22)27;1-4-14(32)7-12-5-6-27-11-16(12)30-24-28-10-13-8-15(29-23(33)22(13)31-24)19-20(25)17(34-2)9-18(35-3)21(19)26;1-4-16(31)27-12-8-25-9-13(12)29-22-26-7-10-5-11(28-21(32)20(10)30-22)17-18(23)14(33-2)6-15(34-3)19(17)24/h5-12H,1H2,2-4H3,(H,29,31)(H,30,32);5,9-11,13,16,28H,1,6-8,12H2,2-4H3,(H,29,30,31);4,8-11,13,18,28H,1,5-7,12H2,2-3H3,(H,29,30)(H,31,33);4,8-10,12,16,27H,1,5-7,11H2,2-3H3,(H,29,33)(H,28,30,31);4-7,12-13,25H,1,8-9H2,2-3H3,(H,27,31)(H,28,32)(H,26,29,30)/t;13-,16-;13-,18-;12-,16-;12-,13+/m.1110/s1
• InChIKey: MBVGHRNVDPTZGW-FMHUDMFVSA-N
• XLogP: 20.87
• TPSA: 563.89 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2599.98
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide?

The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide (CID 159521268) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide.

What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide?

The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)C[C@H]1CCNC[C@H]1Nc1cc2c(=O)[nH]c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)C[C@H]1CCNC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)[nH]c(=O)c2n1.C=CC(=O)C[C@H]1CCNC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)n(C)c(=O)c2n1.C=CC(=O)N[C@H]1CNC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)[nH]c(=O)c2n1.C=CC(=O)Nc1cccc(C)c1Nc1cc2c(=O)oc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide?

The InChIKey is MBVGHRNVDPTZGW-FMHUDMFVSA-N. The full InChI is InChI=1S/C26H21Cl2N3O5.C25H27Cl2N5O4.C25H26Cl2N4O4.C24H25Cl2N5O4.C22H22Cl2N6O4/c1-5-21(32)30-16-8-6-7-13(2)25(16)31-20-10-15-14(12-29-20)9-17(36-26(15)33)22-23(27)18(34-3)11-19(35-4)24(22)28;1-5-15(33)8-13-6-7-28-12-16(13)30-25-29-11-14-9-17(32(2)24(34)23(14)31-25)20-21(26)18(35-3)10-19(36-4)22(20)27;1-4-15(32)7-13-5-6-28-12-18(13)30-21-9-16-14(11-29-21)8-17(31-25(16)33)22-23(26)19(34-2)10-20(35-3)24(22)27;1-4-14(32)7-12-5-6-27-11-16(12)30-24-28-10-13-8-15(29-23(33)22(13)31-24)19-20(25)17(34-2)9-18(35-3)21(19)26;1-4-16(31)27-12-8-25-9-13(12)29-22-26-7-10-5-11(28-21(32)20(10)30-22)17-18(23)14(33-2)6-15(34-3)19(17)24/h5-12H,1H2,2-4H3,(H,29,31)(H,30,32);5,9-11,13,16,28H,1,6-8,12H2,2-4H3,(H,29,30,31);4,8-11,13,18,28H,1,5-7,12H2,2-3H3,(H,29,30)(H,31,33);4,8-10,12,16,27H,1,5-7,11H2,2-3H3,(H,29,33)(H,28,30,31);4-7,12-13,25H,1,8-9H2,2-3H3,(H,27,31)(H,28,32)(H,26,29,30)/t;13-,16-;13-,18-;12-,16-;12-,13+/m.1110/s1.

What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide?

6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 2599.98 g/mol, XLogP of 20.87, 38 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]pyrido[3,4-d]pyrimidin-8-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-2H-2,6-naphthyridin-1-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-(2-oxobut-3-enyl)piperidin-3-yl]amino]-7H-pyrido[3,4-d]pyrimidin-8-one;N-[2-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]-3-methylphenyl]prop-2-enamide;N-[(3S,4R)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-oxo-7H-pyrido[3,4-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 159521268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).