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

C91H89N25O16S — CID 162047180

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

1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 162047180) has the molecular formula C91H89N25O16S and a molecular weight of 1820.94 g/mol. Its IUPAC name is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

• Compound Name: 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• PubChem CID: 162047180
• Molecular Formula: C91H89N25O16S
• Molecular Weight: 1820.94 g/mol
• Exact Mass: 1819.66
• IUPAC Name: 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• SMILES: C[C@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccc6c(c5)C=NC6)nc4c32)CC1.C[C@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccsc5)nc4c32)CC1.C[C@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cn[nH]c5)nc4c32)CC1.C[C@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnn(C)c5)nc4c32)CC1
• InChI: InChI=1S/C26H24N6O4.C22H23N7O4.C22H21N5O4S.C21H21N7O4/c1-14(33)25(35)31-8-6-18(7-9-31)32-23-19(24(34)30-26(32)36)13-28-21-5-4-20(29-22(21)23)15-2-3-16-11-27-12-17(16)10-15;1-12(30)21(32)28-7-5-14(6-8-28)29-19-15(20(31)26-22(29)33)10-23-17-4-3-16(25-18(17)19)13-9-24-27(2)11-13;1-12(28)21(30)26-7-4-14(5-8-26)27-19-15(20(29)25-22(27)31)10-23-17-3-2-16(24-18(17)19)13-6-9-32-11-13;1-11(29)20(31)27-6-4-13(5-7-27)28-18-14(19(30)26-21(28)32)10-22-16-3-2-15(25-17(16)18)12-8-23-24-9-12/h2-5,10,12-14,18,33H,6-9,11H2,1H3,(H,30,34,36);3-4,9-12,14,30H,5-8H2,1-2H3,(H,26,31,33);2-3,6,9-12,14,28H,4-5,7-8H2,1H3,(H,25,29,31);2-3,8-11,13,29H,4-7H2,1H3,(H,23,24)(H,26,30,32)/t14-;2*12-;11-/m0000/s1
• InChIKey: YYAWWSYVXWBATO-XXMVAIPYSA-N
• XLogP: 4.83
• TPSA: 543.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1820.94
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

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

The IUPAC name of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 162047180) is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

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

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

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

The InChIKey is YYAWWSYVXWBATO-XXMVAIPYSA-N. The full InChI is InChI=1S/C26H24N6O4.C22H23N7O4.C22H21N5O4S.C21H21N7O4/c1-14(33)25(35)31-8-6-18(7-9-31)32-23-19(24(34)30-26(32)36)13-28-21-5-4-20(29-22(21)23)15-2-3-16-11-27-12-17(16)10-15;1-12(30)21(32)28-7-5-14(6-8-28)29-19-15(20(31)26-22(29)33)10-23-17-4-3-16(25-18(17)19)13-9-24-27(2)11-13;1-12(28)21(30)26-7-4-14(5-8-26)27-19-15(20(29)25-22(27)31)10-23-17-3-2-16(24-18(17)19)13-6-9-32-11-13;1-11(29)20(31)27-6-4-13(5-7-27)28-18-14(19(30)26-21(28)32)10-22-16-3-2-15(25-17(16)18)12-8-23-24-9-12/h2-5,10,12-14,18,33H,6-9,11H2,1H3,(H,30,34,36);3-4,9-12,14,30H,5-8H2,1-2H3,(H,26,31,33);2-3,6,9-12,14,28H,4-5,7-8H2,1H3,(H,25,29,31);2-3,8-11,13,29H,4-7H2,1H3,(H,23,24)(H,26,30,32)/t14-;2*12-;11-/m0000/s1.

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

1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 1820.94 g/mol, XLogP of 4.83, 12 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 162047180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).