1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C108H116N30O17 — CID 160929657

About 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 160929657) has the molecular formula C108H116N30O17 and a molecular weight of 2106.31 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

• Compound Name: 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• PubChem CID: 160929657
• Molecular Formula: C108H116N30O17
• Molecular Weight: 2106.31 g/mol
• Exact Mass: 2104.91
• IUPAC Name: 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• SMILES: CC(C)(O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1.CC(C)(O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(N6CCOCC6)nc5)nc4c32)CC1.CN1CCN(c2ccc(-c3ccc4ncc5c(=O)[nH]c(=O)n(C6CCN(C(=O)C(C)(C)O)CC6)c5c4n3)cn2)CC1.Cc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)C(C)(C)O)CC5)c4c3n2)cn1
• InChI: InChI=1S/C29H34N8O4.C28H31N7O5.C27H26N8O4.C24H25N7O4/c1-29(2,41)27(39)36-10-8-19(9-11-36)37-25-20(26(38)33-28(37)40)17-30-22-6-5-21(32-24(22)25)18-4-7-23(31-16-18)35-14-12-34(3)13-15-35;1-28(2,39)26(37)34-9-7-18(8-10-34)35-24-19(25(36)32-27(35)38)16-29-21-5-4-20(31-23(21)24)17-3-6-22(30-15-17)33-11-13-40-14-12-33;1-27(2,39)25(37)33-12-8-17(9-13-33)35-23-18(24(36)32-26(35)38)15-28-20-6-5-19(31-22(20)23)16-4-7-21(29-14-16)34-11-3-10-30-34;1-13-25-10-14(11-26-13)17-4-5-18-19(28-17)20-16(12-27-18)21(32)29-23(34)31(20)15-6-8-30(9-7-15)22(33)24(2,3)35/h4-7,16-17,19,41H,8-15H2,1-3H3,(H,33,38,40);3-6,15-16,18,39H,7-14H2,1-2H3,(H,32,36,38);3-7,10-11,14-15,17,39H,8-9,12-13H2,1-2H3,(H,32,36,38);4-5,10-12,15,35H,6-9H2,1-3H3,(H,29,32,34)
• InChIKey: STCDITOYWVIKDG-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 585.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.31
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 160929657) is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is CC(C)(O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1.CC(C)(O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc(N6CCOCC6)nc5)nc4c32)CC1.CN1CCN(c2ccc(-c3ccc4ncc5c(=O)[nH]c(=O)n(C6CCN(C(=O)C(C)(C)O)CC6)c5c4n3)cn2)CC1.Cc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)C(C)(C)O)CC5)c4c3n2)cn1.

What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The InChIKey is STCDITOYWVIKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O4.C28H31N7O5.C27H26N8O4.C24H25N7O4/c1-29(2,41)27(39)36-10-8-19(9-11-36)37-25-20(26(38)33-28(37)40)17-30-22-6-5-21(32-24(22)25)18-4-7-23(31-16-18)35-14-12-34(3)13-15-35;1-28(2,39)26(37)34-9-7-18(8-10-34)35-24-19(25(36)32-27(35)38)16-29-21-5-4-20(31-23(21)24)17-3-6-22(30-15-17)33-11-13-40-14-12-33;1-27(2,39)25(37)33-12-8-17(9-13-33)35-23-18(24(36)32-26(35)38)15-28-20-6-5-19(31-22(20)23)16-4-7-21(29-14-16)34-11-3-10-30-34;1-13-25-10-14(11-26-13)17-4-5-18-19(28-17)20-16(12-27-18)21(32)29-23(34)31(20)15-6-8-30(9-7-15)22(33)24(2,3)35/h4-7,16-17,19,41H,8-15H2,1-3H3,(H,33,38,40);3-6,15-16,18,39H,7-14H2,1-2H3,(H,32,36,38);3-7,10-11,14-15,17,39H,8-9,12-13H2,1-2H3,(H,32,36,38);4-5,10-12,15,35H,6-9H2,1-3H3,(H,29,32,34).

What are the key properties of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 2106.31 g/mol, XLogP of 6.00, 15 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-morpholin-4-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(6-pyrazol-1-yl-3-pyridinyl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 160929657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).