1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C87H81N25O12S — CID 157154233

About 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 157154233) has the molecular formula C87H81N25O12S and a molecular weight of 1700.83 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

• Compound Name: 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• PubChem CID: 157154233
• Molecular Formula: C87H81N25O12S
• Molecular Weight: 1700.83 g/mol
• Exact Mass: 1699.62
• IUPAC Name: 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• SMILES: CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc6c(c5)C=NC6)nc4c32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccsc5)nc4c32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cn[nH]c5)nc4c32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
• InChI: InChI=1S/C25H22N6O3.C21H21N7O3.C21H19N5O3S.C20H19N7O3/c1-14(32)30-8-6-18(7-9-30)31-23-19(24(33)29-25(31)34)13-27-21-5-4-20(28-22(21)23)15-2-3-16-11-26-12-17(16)10-15;1-12(29)27-7-5-14(6-8-27)28-19-15(20(30)25-21(28)31)10-22-17-4-3-16(24-18(17)19)13-9-23-26(2)11-13;1-12(27)25-7-4-14(5-8-25)26-19-15(20(28)24-21(26)29)10-22-17-3-2-16(23-18(17)19)13-6-9-30-11-13;1-11(28)26-6-4-13(5-7-26)27-18-14(19(29)25-20(27)30)10-21-16-3-2-15(24-17(16)18)12-8-22-23-9-12/h2-5,10,12-13,18H,6-9,11H2,1H3,(H,29,33,34);3-4,9-11,14H,5-8H2,1-2H3,(H,25,30,31);2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,24,28,29);2-3,8-10,13H,4-7H2,1H3,(H,22,23)(H,25,29,30)
• InChIKey: ALPVFAKTCWXFQS-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 462.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 8
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.83
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

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-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The IUPAC name of 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 157154233) is 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc6c(c5)C=NC6)nc4c32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccsc5)nc4c32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cn[nH]c5)nc4c32)CC1.CC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1.

What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The InChIKey is ALPVFAKTCWXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3.C21H21N7O3.C21H19N5O3S.C20H19N7O3/c1-14(32)30-8-6-18(7-9-30)31-23-19(24(33)29-25(31)34)13-27-21-5-4-20(28-22(21)23)15-2-3-16-11-26-12-17(16)10-15;1-12(29)27-7-5-14(6-8-27)28-19-15(20(30)25-21(28)31)10-22-17-4-3-16(24-18(17)19)13-9-23-26(2)11-13;1-12(27)25-7-4-14(5-8-25)26-19-15(20(28)24-21(26)29)10-22-17-3-2-16(23-18(17)19)13-6-9-30-11-13;1-11(28)26-6-4-13(5-7-26)27-18-14(19(29)25-20(27)30)10-21-16-3-2-15(24-17(16)18)12-8-22-23-9-12/h2-5,10,12-13,18H,6-9,11H2,1H3,(H,29,33,34);3-4,9-11,14H,5-8H2,1-2H3,(H,25,30,31);2-3,6,9-11,14H,4-5,7-8H2,1H3,(H,24,28,29);2-3,8-10,13H,4-7H2,1H3,(H,22,23)(H,25,29,30).

What are the key properties of 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 1700.83 g/mol, XLogP of 7.38, 8 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-acetylpiperidin-4-yl)-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-(1-acetylpiperidin-4-yl)-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 157154233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).