7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one

C118H119FN30O13 — CID 158285048

About 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one

7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 158285048) has the molecular formula C118H119FN30O13 and a molecular weight of 2184.44 g/mol. Its IUPAC name is 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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: 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one
• PubChem CID: 158285048
• Molecular Formula: C118H119FN30O13
• Molecular Weight: 2184.44 g/mol
• Exact Mass: 2182.96
• IUPAC Name: 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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)N1CC(c2nc3nc(C)n(-c4cc(O)cc5ccccc45)c(=O)c3n2C2CN(C)C2)C1.C=CC(=O)N1CC(c2nc3ncn(-c4c(C)ccc5[nH]ncc45)c(=O)c3n2C2CN(C)C2)C1.C=CC(=O)N1CC(c2nc3ncn(-c4cc(O)cc5ccccc45)c(=O)c3n2C2CN(C)C2)C1.C=CC(=O)N1CCN(c2ccnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)CC1.C=CC(=O)N1CCN(c2ccnc3c2CCN(c2c(O)cccc2F)C3=O)CC1
• InChI: InChI=1S/C26H26N6O3.C25H24N6O3.C23H24N8O2.C23H24N6O2.C21H21FN4O3/c1-4-22(34)30-11-17(12-30)25-28-24-23(32(25)18-13-29(3)14-18)26(35)31(15(2)27-24)21-10-19(33)9-16-7-5-6-8-20(16)21;1-3-21(33)29-10-16(11-29)24-27-23-22(31(24)17-12-28(2)13-17)25(34)30(14-26-23)20-9-18(32)8-15-6-4-5-7-19(15)20;1-4-18(32)29-8-14(9-29)22-26-21-20(31(22)15-10-28(3)11-15)23(33)30(12-24-21)19-13(2)5-6-17-16(19)7-25-27-17;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;1-2-18(28)25-12-10-24(11-13-25)16-6-8-23-19-14(16)7-9-26(21(19)29)20-15(22)4-3-5-17(20)27/h4-10,17-18,33H,1,11-14H2,2-3H3;3-9,14,16-17,32H,1,10-13H2,2H3;4-7,12,14-15H,1,8-11H2,2-3H3,(H,25,27);3-6,8,14H,1,7,9-13H2,2H3,(H,25,26);2-6,8,27H,1,7,9-13H2
• InChIKey: GKRGSKQWLDUBIA-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 460.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2184.44
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one (CID 158285048) is 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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)N1CC(c2nc3nc(C)n(-c4cc(O)cc5ccccc45)c(=O)c3n2C2CN(C)C2)C1.C=CC(=O)N1CC(c2nc3ncn(-c4c(C)ccc5[nH]ncc45)c(=O)c3n2C2CN(C)C2)C1.C=CC(=O)N1CC(c2nc3ncn(-c4cc(O)cc5ccccc45)c(=O)c3n2C2CN(C)C2)C1.C=CC(=O)N1CCN(c2ccnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3=O)CC1.C=CC(=O)N1CCN(c2ccnc3c2CCN(c2c(O)cccc2F)C3=O)CC1.

What is the InChIKey of 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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 GKRGSKQWLDUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3.C25H24N6O3.C23H24N8O2.C23H24N6O2.C21H21FN4O3/c1-4-22(34)30-11-17(12-30)25-28-24-23(32(25)18-13-29(3)14-18)26(35)31(15(2)27-24)21-10-19(33)9-16-7-5-6-8-20(16)21;1-3-21(33)29-10-16(11-29)24-27-23-22(31(24)17-12-28(2)13-17)25(34)30(14-26-23)20-9-18(32)8-15-6-4-5-7-19(15)20;1-4-18(32)29-8-14(9-29)22-26-21-20(31(22)15-10-28(3)11-15)23(33)30(12-24-21)19-13(2)5-6-17-16(19)7-25-27-17;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;1-2-18(28)25-12-10-24(11-13-25)16-6-8-23-19-14(16)7-9-26(21(19)29)20-15(22)4-3-5-17(20)27/h4-10,17-18,33H,1,11-14H2,2-3H3;3-9,14,16-17,32H,1,10-13H2,2H3;4-7,12,14-15H,1,8-11H2,2-3H3,(H,25,27);3-6,8,14H,1,7,9-13H2,2H3,(H,25,26);2-6,8,27H,1,7,9-13H2.

What are the key properties of 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one?

7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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 2184.44 g/mol, XLogP of 10.02, 18 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-fluoro-6-hydroxyphenyl)-4-(4-prop-2-enoylpiperazin-1-yl)-5,6-dihydro-1,7-naphthyridin-8-one;1-(3-hydroxynaphthalen-1-yl)-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;1-(3-hydroxynaphthalen-1-yl)-2-methyl-7-(1-methylazetidin-3-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;7-(1-methylazetidin-3-yl)-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one;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 158285048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).