7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C122H123Cl2F3N26O9 — CID 159545922

About 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159545922) has the molecular formula C122H123Cl2F3N26O9 and a molecular weight of 2225.40 g/mol. Its IUPAC name is 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159545922
• Molecular Formula: C122H123Cl2F3N26O9
• Molecular Weight: 2225.40 g/mol
• Exact Mass: 2222.93
• IUPAC Name: 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4c(C)ccc5c4C=NC5)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4nc(N)cc5ccccc45)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(Cc3ccccn3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)CC1
• InChI: InChI=1S/C34H34FN7O2.C34H35FN6O2.C28H32ClN7O2.C26H22ClFN6O3/c1-6-28(43)40-14-15-41(21(5)18-40)32-25-17-26(35)30(29-24-12-8-7-11-22(24)16-27(36)37-29)38-33(25)42(34(44)39-32)31-20(4)10-9-13-23(31)19(2)3;1-7-28(42)39-13-14-40(22(6)18-39)32-25-15-27(35)30(29-20(4)11-12-23-16-36-17-26(23)29)37-33(25)41(34(43)38-32)31-21(5)9-8-10-24(31)19(2)3;1-6-18(7-2)36-27-19(26(32-28(36)38)35-12-11-34(15-17(35)5)23(37)8-3)13-21(29)25(31-27)24-16(4)9-10-22-20(24)14-30-33-22;1-2-21(36)32-10-12-33(13-11-32)24-17-14-18(27)23(22-19(28)7-5-8-20(22)35)30-25(17)34(26(37)31-24)15-16-6-3-4-9-29-16/h6-13,16-17,19,21H,1,14-15,18H2,2-5H3,(H2,36,37);7-12,15,17,19,22H,1,13-14,16,18H2,2-6H3;8-10,13-14,17-18H,3,6-7,11-12,15H2,1-2,4-5H3,(H,30,33);2-9,14,35H,1,10-13,15H2/t21-;22-;17-;/m000./s1
• InChIKey: MEUJOCCLHGVIPO-BPIQRCMWSA-N
• XLogP: 18.97
• TPSA: 398.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.40
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 159545922) is 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4c(C)ccc5c4C=NC5)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4nc(N)cc5ccccc45)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(C(CC)CC)c3nc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(Cc3ccccn3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)CC1.

What is the InChIKey of 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is MEUJOCCLHGVIPO-BPIQRCMWSA-N. The full InChI is InChI=1S/C34H34FN7O2.C34H35FN6O2.C28H32ClN7O2.C26H22ClFN6O3/c1-6-28(43)40-14-15-41(21(5)18-40)32-25-17-26(35)30(29-24-12-8-7-11-22(24)16-27(36)37-29)38-33(25)42(34(44)39-32)31-20(4)10-9-13-23(31)19(2)3;1-7-28(42)39-13-14-40(22(6)18-39)32-25-15-27(35)30(29-20(4)11-12-23-16-36-17-26(23)29)37-33(25)41(34(43)38-32)31-21(5)9-8-10-24(31)19(2)3;1-6-18(7-2)36-27-19(26(32-28(36)38)35-12-11-34(15-17(35)5)23(37)8-3)13-21(29)25(31-27)24-16(4)9-10-22-20(24)14-30-33-22;1-2-21(36)32-10-12-33(13-11-32)24-17-14-18(27)23(22-19(28)7-5-8-20(22)35)30-25(17)34(26(37)31-24)15-16-6-3-4-9-29-16/h6-13,16-17,19,21H,1,14-15,18H2,2-5H3,(H2,36,37);7-12,15,17,19,22H,1,13-14,16,18H2,2-6H3;8-10,13-14,17-18H,3,6-7,11-12,15H2,1-2,4-5H3,(H,30,33);2-9,14,35H,1,10-13,15H2/t21-;22-;17-;/m000./s1.

What are the key properties of 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2225.40 g/mol, XLogP of 18.97, 21 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminoisoquinolin-1-yl)-6-fluoro-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-1-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(5-methyl-1H-indazol-4-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-pentan-3-ylpyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(5-methyl-1H-isoindol-4-yl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159545922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).