9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C151H166N38O23S — CID 162147056

About 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 162147056) has the molecular formula C151H166N38O23S and a molecular weight of 2913.30 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 162147056
• Molecular Formula: C151H166N38O23S
• Molecular Weight: 2913.30 g/mol
• Exact Mass: 2911.27
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: COCC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CC(C)=O)nc5)nc4c32)CC1.COCC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.COCC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(CO)nc5)nc4c32)CC1.COCC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1.COCC(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4c32)CC1.[C-]#[N+]c1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)COC)CC2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/C27H30N6O4.C25H25N7O3.C25H28N6O5S.2C25H28N6O4.C24H27N7O3/c1-17(34)12-20-5-4-18(13-28-20)22-6-7-23-25(30-22)26-19(14-29-23)15-31(2)27(36)33(26)21-8-10-32(11-9-21)24(35)16-37-3;1-26-21-7-4-16(12-28-21)19-5-6-20-23(29-19)24-17(13-27-20)14-30(2)25(34)32(24)18-8-10-31(11-9-18)22(33)15-35-3;1-29-14-17-13-26-20-6-5-19(16-4-7-21(27-12-16)37(3,34)35)28-23(20)24(17)31(25(29)33)18-8-10-30(11-9-18)22(32)15-36-2;2*1-29-13-17-12-27-21-6-5-20(16-3-4-18(14-32)26-11-16)28-23(21)24(17)31(25(29)34)19-7-9-30(10-8-19)22(33)15-35-2;1-29-13-16-12-26-19-5-4-18(15-3-6-20(25)27-11-15)28-22(19)23(16)31(24(29)33)17-7-9-30(10-8-17)21(32)14-34-2/h4-7,13-14,21H,8-12,15-16H2,1-3H3;4-7,12-13,18H,8-11,14-15H2,2-3H3;4-7,12-13,18H,8-11,14-15H2,1-3H3;2*3-6,11-12,19,32H,7-10,13-15H2,1-2H3;3-6,11-12,17H,7-10,13-14H2,1-2H3,(H2,25,27)
• InChIKey: ZKRSCUNPRSLOBN-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 672.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2913.30
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 162147056) is 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

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

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

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

The InChIKey is ZKRSCUNPRSLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4.C25H25N7O3.C25H28N6O5S.2C25H28N6O4.C24H27N7O3/c1-17(34)12-20-5-4-18(13-28-20)22-6-7-23-25(30-22)26-19(14-29-23)15-31(2)27(36)33(26)21-8-10-32(11-9-21)24(35)16-37-3;1-26-21-7-4-16(12-28-21)19-5-6-20-23(29-19)24-17(13-27-20)14-30(2)25(34)32(24)18-8-10-31(11-9-18)22(33)15-35-3;1-29-14-17-13-26-20-6-5-19(16-4-7-21(27-12-16)37(3,34)35)28-23(20)24(17)31(25(29)33)18-8-10-30(11-9-18)22(32)15-36-2;2*1-29-13-17-12-27-21-6-5-20(16-3-4-18(14-32)26-11-16)28-23(21)24(17)31(25(29)34)19-7-9-30(10-8-19)22(33)15-35-2;1-29-13-16-12-26-19-5-4-18(15-3-6-20(25)27-11-15)28-22(19)23(16)31(24(29)33)17-7-9-30(10-8-17)21(32)14-34-2/h4-7,13-14,21H,8-12,15-16H2,1-3H3;4-7,12-13,18H,8-11,14-15H2,2-3H3;4-7,12-13,18H,8-11,14-15H2,1-3H3;2*3-6,11-12,19,32H,7-10,13-15H2,1-2H3;3-6,11-12,17H,7-10,13-14H2,1-2H3,(H2,25,27).

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

9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 2913.30 g/mol, XLogP of 14.86, 29 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one);9-(6-isocyano-3-pyridinyl)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 162147056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).