7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C99H111F5N24O9 — CID 163744672

About 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 163744672) has the molecular formula C99H111F5N24O9 and a molecular weight of 1876.13 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 163744672
• Molecular Formula: C99H111F5N24O9
• Molecular Weight: 1876.13 g/mol
• Exact Mass: 1874.89
• IUPAC Name: 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-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)cc(OCCN(C)C)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cc(OCCN(C)C)nc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5[nH]nc(N)c45)c(F)cc23)[C@@H](C)C1
• InChI: InChI=1S/C34H40F2N8O3.C34H39F2N7O4.C31H32FN9O2/c1-8-27(45)42-12-13-43(21(5)18-42)32-22-17-24(36)30(28-23(35)10-9-11-25(28)37)39-33(22)44(34(46)40-32)31-20(4)16-26(38-29(31)19(2)3)47-15-14-41(6)7;1-8-27(45)41-12-13-42(21(5)18-41)32-22-17-24(36)30(28-23(35)10-9-11-25(28)44)38-33(22)43(34(46)39-32)31-20(4)16-26(37-29(31)19(2)3)47-15-14-40(6)7;1-6-23(42)39-12-13-40(18(5)15-39)29-20-14-21(32)26(19-8-7-9-22-24(19)28(33)38-37-22)35-30(20)41(31(43)36-29)27-17(4)10-11-34-25(27)16(2)3/h8-11,16-17,19,21H,1,12-15,18,37H2,2-7H3;8-11,16-17,19,21,44H,1,12-15,18H2,2-7H3;6-11,14,16,18H,1,12-13,15H2,2-5H3,(H3,33,37,38)/t2*21-;18-/m000/s1
• InChIKey: LKUFNEWQWJWQNH-UISHEOKQSA-N
• XLogP: 12.82
• TPSA: 378.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.13
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 163744672) is 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-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)cc(OCCN(C)C)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cc(OCCN(C)C)nc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5[nH]nc(N)c45)c(F)cc23)[C@@H](C)C1.

What is the InChIKey of 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is LKUFNEWQWJWQNH-UISHEOKQSA-N. The full InChI is InChI=1S/C34H40F2N8O3.C34H39F2N7O4.C31H32FN9O2/c1-8-27(45)42-12-13-43(21(5)18-42)32-22-17-24(36)30(28-23(35)10-9-11-25(28)37)39-33(22)44(34(46)40-32)31-20(4)16-26(38-29(31)19(2)3)47-15-14-41(6)7;1-8-27(45)41-12-13-42(21(5)18-41)32-22-17-24(36)30(28-23(35)10-9-11-25(28)44)38-33(22)43(34(46)39-32)31-20(4)16-26(37-29(31)19(2)3)47-15-14-40(6)7;1-6-23(42)39-12-13-40(18(5)15-39)29-20-14-21(32)26(19-8-7-9-22-24(19)28(33)38-37-22)35-30(20)41(31(43)36-29)27-17(4)10-11-34-25(27)16(2)3/h8-11,16-17,19,21H,1,12-15,18,37H2,2-7H3;8-11,16-17,19,21,44H,1,12-15,18H2,2-7H3;6-11,14,16,18H,1,12-13,15H2,2-5H3,(H3,33,37,38)/t2*21-;18-/m000/s1.

What are the key properties of 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1876.13 g/mol, XLogP of 12.82, 23 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-6-fluorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-1H-indazol-4-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[6-[2-(dimethylamino)ethoxy]-4-methyl-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 163744672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).