2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one

C103H121FN28O9 — CID 159582759

About 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one

2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 159582759) has the molecular formula C103H121FN28O9 and a molecular weight of 1914.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

• Compound Name: 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one
• PubChem CID: 159582759
• Molecular Formula: C103H121FN28O9
• Molecular Weight: 1914.29 g/mol
• Exact Mass: 1912.99
• IUPAC Name: 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one
• SMILES: C=CC(=O)N1CCN(c2c(C)cnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)CC1.C=CC(=O)N1CCN(c2ccnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)CC1.C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c2CCN(c2c(O)cccc2F)C3=O)C[C@H]1C
• InChI: InChI=1S/C29H37N9O2.C27H34FN7O3.C24H26N6O2.C23H24N6O2/c1-7-24(39)37-13-19(4)38(14-18(37)3)27-21-10-11-36(26-17(2)8-9-23-22(26)12-30-33-23)28(40)25(21)31-29(32-27)35-15-20(16-35)34(5)6;1-6-22(37)34-12-17(3)35(13-16(34)2)25-19-10-11-33(24-20(28)8-7-9-21(24)36)26(38)23(19)29-27(30-25)32-14-18(15-32)31(4)5;1-4-20(31)28-9-11-29(12-10-28)22-16(3)13-25-21-17(22)7-8-30(24(21)32)23-15(2)5-6-19-18(23)14-26-27-19;1-3-20(30)28-12-10-27(11-13-28)19-6-8-24-21-16(19)7-9-29(23(21)31)22-15(2)4-5-18-17(22)14-25-26-18/h7-9,12,18-20H,1,10-11,13-16H2,2-6H3,(H,30,33);6-9,16-18,36H,1,10-15H2,2-5H3;4-6,13-14H,1,7-12H2,2-3H3,(H,26,27);3-6,8,14H,1,7,9-13H2,2H3,(H,25,26)/t18-,19+;16-,17+;;/m11../s1
• InChIKey: MJFNJNNKMHTSBL-RYSGRARUSA-N
• XLogP: 9.03
• TPSA: 372.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.29
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one?

The IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one (CID 159582759) is 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one.

What is the SMILES notation for 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one?

The canonical SMILES for 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one is C=CC(=O)N1CCN(c2c(C)cnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)CC1.C=CC(=O)N1CCN(c2ccnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)CC1.C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c2CCN(c2c(O)cccc2F)C3=O)C[C@H]1C.

What is the InChIKey of 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one?

The InChIKey is MJFNJNNKMHTSBL-RYSGRARUSA-N. The full InChI is InChI=1S/C29H37N9O2.C27H34FN7O3.C24H26N6O2.C23H24N6O2/c1-7-24(39)37-13-19(4)38(14-18(37)3)27-21-10-11-36(26-17(2)8-9-23-22(26)12-30-33-23)28(40)25(21)31-29(32-27)35-15-20(16-35)34(5)6;1-6-22(37)34-12-17(3)35(13-16(34)2)25-19-10-11-33(24-20(28)8-7-9-21(24)36)26(38)23(19)29-27(30-25)32-14-18(15-32)31(4)5;1-4-20(31)28-9-11-29(12-10-28)22-16(3)13-25-21-17(22)7-8-30(24(21)32)23-15(2)5-6-19-18(23)14-26-27-19;1-3-20(30)28-12-10-27(11-13-28)19-6-8-24-21-16(19)7-9-29(23(21)31)22-15(2)4-5-18-17(22)14-25-26-18/h7-9,12,18-20H,1,10-11,13-16H2,2-6H3,(H,30,33);6-9,16-18,36H,1,10-15H2,2-5H3;4-6,13-14H,1,7-12H2,2-3H3,(H,26,27);3-6,8,14H,1,7,9-13H2,2H3,(H,25,26)/t18-,19+;16-,17+;;/m11../s1.

What are the key properties of 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one?

2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one has a molecular weight of 1914.29 g/mol, XLogP of 9.03, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;2-[3-(dimethylamino)azetidin-1-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;3-methyl-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 159582759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).