9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide

C121H139N33O14S — CID 159209172

About 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide

9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide (PubChem CID 159209172) has the molecular formula C121H139N33O14S and a molecular weight of 2311.73 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide
• PubChem CID: 159209172
• Molecular Formula: C121H139N33O14S
• Molecular Weight: 2311.73 g/mol
• Exact Mass: 2310.09
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide
• SMILES: CN1Cc2cnc3ccc(-c4ccc(CO)nc4)nc3c2N(C2CCN(C(=O)C(C)(C)O)CC2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(C2CCN(C(=O)C(C)(C)O)CC2)C1=O.CN1Cc2cnc3ccc(-c4ccsc4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.CN1Cc2cnc3ccc(-c4cnn(C)c4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.Cc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)C(C)(C)O)CC2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/C26H30N6O4.C26H30N6O3.C25H29N7O3.C22H26N8O2.C22H24N6O2S/c1-26(2,36)24(34)31-10-8-19(9-11-31)32-23-17(14-30(3)25(32)35)13-28-21-7-6-20(29-22(21)23)16-4-5-18(15-33)27-12-16;1-16-5-6-17(13-27-16)20-7-8-21-22(29-20)23-18(14-28-21)15-30(4)25(34)32(23)19-9-11-31(12-10-19)24(33)26(2,3)35;1-25(2,35)23(33)31-10-8-17(9-11-31)32-22-16(14-30(3)24(32)34)13-27-19-6-5-18(29-21(19)22)15-4-7-20(26)28-12-15;1-27-11-15-9-24-18-4-3-17(14-10-25-28(2)12-14)26-20(18)21(15)30(22(27)32)16-5-7-29(8-6-16)13-19(23)31;1-26-11-15-10-24-18-3-2-17(14-6-9-31-13-14)25-20(18)21(15)28(22(26)30)16-4-7-27(8-5-16)12-19(23)29/h4-7,12-13,19,33,36H,8-11,14-15H2,1-3H3;5-8,13-14,19,35H,9-12,15H2,1-4H3;4-7,12-13,17,35H,8-11,14H2,1-3H3,(H2,26,28);3-4,9-10,12,16H,5-8,11,13H2,1-2H3,(H2,23,31);2-3,6,9-10,13,16H,4-5,7-8,11-12H2,1H3,(H2,23,29)
• InChIKey: KQGRUVMJMFKYCB-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 563.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.73
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide?

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide (CID 159209172) is 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide?

The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide is CN1Cc2cnc3ccc(-c4ccc(CO)nc4)nc3c2N(C2CCN(C(=O)C(C)(C)O)CC2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(C2CCN(C(=O)C(C)(C)O)CC2)C1=O.CN1Cc2cnc3ccc(-c4ccsc4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.CN1Cc2cnc3ccc(-c4cnn(C)c4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.Cc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)C(C)(C)O)CC2)C(=O)N(C)C4)cn1.

What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide?

The InChIKey is KQGRUVMJMFKYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.C26H30N6O3.C25H29N7O3.C22H26N8O2.C22H24N6O2S/c1-26(2,36)24(34)31-10-8-19(9-11-31)32-23-17(14-30(3)25(32)35)13-28-21-7-6-20(29-22(21)23)16-4-5-18(15-33)27-12-16;1-16-5-6-17(13-27-16)20-7-8-21-22(29-20)23-18(14-28-21)15-30(4)25(34)32(23)19-9-11-31(12-10-19)24(33)26(2,3)35;1-25(2,35)23(33)31-10-8-17(9-11-31)32-22-16(14-30(3)24(32)34)13-27-19-6-5-18(29-21(19)22)15-4-7-20(26)28-12-15;1-27-11-15-9-24-18-4-3-17(14-10-25-28(2)12-14)26-20(18)21(15)30(22(27)32)16-5-7-29(8-6-16)13-19(23)31;1-26-11-15-10-24-18-3-2-17(14-6-9-31-13-14)25-20(18)21(15)28(22(26)30)16-4-7-27(8-5-16)12-19(23)29/h4-7,12-13,19,33,36H,8-11,14-15H2,1-3H3;5-8,13-14,19,35H,9-12,15H2,1-4H3;4-7,12-13,17,35H,8-11,14H2,1-3H3,(H2,26,28);3-4,9-10,12,16H,5-8,11,13H2,1-2H3,(H2,23,31);2-3,6,9-10,13,16H,4-5,7-8,11-12H2,1H3,(H2,23,29).

What are the key properties of 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide?

9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 2311.73 g/mol, XLogP of 11.89, 18 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(6-methyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;2-[4-[3-methyl-9-(1-methylpyrazol-4-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-(3-methyl-2-oxo-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 159209172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).