1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C148H155N39O16S2 — CID 157146612

About 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 157146612) has the molecular formula C148H155N39O16S2 and a molecular weight of 2800.26 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 157146612
• Molecular Formula: C148H155N39O16S2
• Molecular Weight: 2800.26 g/mol
• Exact Mass: 2798.20
• IUPAC Name: 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: CC(=O)Cc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(C)=O)CC2)C(=O)N(C)C4)cn1.CC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1.CC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.CC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.CSc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(C)=O)CC2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(C)=O)CC2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/C26H26N8O2.C26H28N6O3.C24H23N7O2.C24H26N6O4S.C24H26N6O3.C24H26N6O2S/c1-17(35)32-12-8-20(9-13-32)34-25-19(16-31(2)26(34)36)15-27-22-6-5-21(30-24(22)25)18-4-7-23(28-14-18)33-11-3-10-29-33;1-16(33)12-20-5-4-18(13-27-20)22-6-7-23-24(29-22)25-19(14-28-23)15-30(3)26(35)32(25)21-8-10-31(11-9-21)17(2)34;1-15(32)30-10-8-18(9-11-30)31-23-17(14-29(3)24(31)33)13-26-20-6-5-19(28-22(20)23)16-4-7-21(25-2)27-12-16;1-15(31)29-10-8-18(9-11-29)30-23-17(14-28(2)24(30)32)13-25-20-6-5-19(27-22(20)23)16-4-7-21(26-12-16)35(3,33)34;1-15(32)29-9-7-19(8-10-29)30-23-17(13-28(2)24(30)33)12-26-21-6-5-20(27-22(21)23)16-3-4-18(14-31)25-11-16;1-15(31)29-10-8-18(9-11-29)30-23-17(14-28(2)24(30)32)13-25-20-6-5-19(27-22(20)23)16-4-7-21(33-3)26-12-16/h3-7,10-11,14-15,20H,8-9,12-13,16H2,1-2H3;4-7,13-14,21H,8-12,15H2,1-3H3;4-7,12-13,18H,8-11,14H2,1,3H3;4-7,12-13,18H,8-11,14H2,1-3H3;3-6,11-12,19,31H,7-10,13-14H2,1-2H3;4-7,12-13,18H,8-11,14H2,1-3H3
• InChIKey: AKTVKZCJHWHNMA-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 588.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.26
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 157146612) is 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CC(=O)Cc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(C)=O)CC2)C(=O)N(C)C4)cn1.CC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1.CC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.CC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.CSc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(C)=O)CC2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(C)=O)CC2)C(=O)N(C)C4)cn1.

What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is AKTVKZCJHWHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2.C26H28N6O3.C24H23N7O2.C24H26N6O4S.C24H26N6O3.C24H26N6O2S/c1-17(35)32-12-8-20(9-13-32)34-25-19(16-31(2)26(34)36)15-27-22-6-5-21(30-24(22)25)18-4-7-23(28-14-18)33-11-3-10-29-33;1-16(33)12-20-5-4-18(13-27-20)22-6-7-23-24(29-22)25-19(14-28-23)15-30(3)26(35)32(25)21-8-10-31(11-9-21)17(2)34;1-15(32)30-10-8-18(9-11-30)31-23-17(14-29(3)24(31)33)13-26-20-6-5-19(28-22(20)23)16-4-7-21(25-2)27-12-16;1-15(31)29-10-8-18(9-11-29)30-23-17(14-28(2)24(30)32)13-25-20-6-5-19(27-22(20)23)16-4-7-21(26-12-16)35(3,33)34;1-15(32)29-9-7-19(8-10-29)30-23-17(13-28(2)24(30)33)12-26-21-6-5-20(27-22(21)23)16-3-4-18(14-31)25-11-16;1-15(31)29-10-8-18(9-11-29)30-23-17(14-28(2)24(30)32)13-25-20-6-5-19(27-22(20)23)16-4-7-21(33-3)26-12-16/h3-7,10-11,14-15,20H,8-9,12-13,16H2,1-2H3;4-7,13-14,21H,8-12,15H2,1-3H3;4-7,12-13,18H,8-11,14H2,1,3H3;4-7,12-13,18H,8-11,14H2,1-3H3;3-6,11-12,19,31H,7-10,13-14H2,1-2H3;4-7,12-13,18H,8-11,14H2,1-3H3.

What are the key properties of 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 2800.26 g/mol, XLogP of 18.93, 18 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-acetylpiperidin-4-yl)-9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-(1-acetylpiperidin-4-yl)-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 157146612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).