About 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide (PubChem CID 157274770) has the molecular formula C145H160N52O15S
and a molecular weight of 2903.29 g/mol. Its IUPAC name is 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide (CID 157274770) is 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide is CC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(C2CCN(CC(N)=O)CC2)C(=O)N(C)C4)cn1.CN1Cc2cnc3ccc(-c4cnc(-n5cccn5)nc4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.CN1Cc2cnc3ccc(-c4cnc(CO)nc4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N5CCOCC5)nc4)nc3c2N(C2CCN(CC(N)=O)CC2)C1=O.CSc1ncc(-c2ccc3ncc4c(c3n2)N(C2CCN(CC(N)=O)CC2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ncc(-c2ccc3ncc4c(c3n2)N(C2CCN(CC(N)=O)CC2)C(=O)N(C)C4)cn1.
What is the InChIKey of 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The InChIKey is AYYULLJNZIDTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O3.C25H26N10O2.C25H28N8O3.C23H23N9O2.C23H26N8O3.C23H26N8O2S/c1-32-15-18-14-28-21-3-2-20(17-12-29-25(30-13-17)34-8-10-38-11-9-34)31-23(21)24(18)35(26(32)37)19-4-6-33(7-5-19)16-22(27)36;1-32-14-17-13-27-20-4-3-19(16-11-28-24(29-12-16)34-8-2-7-30-34)31-22(20)23(17)35(25(32)37)18-5-9-33(10-6-18)15-21(26)36;1-15(34)9-22-28-10-16(11-29-22)19-3-4-20-23(30-19)24-17(12-27-20)13-31(2)25(36)33(24)18-5-7-32(8-6-18)14-21(26)35;1-25-22-27-9-14(10-28-22)17-3-4-18-20(29-17)21-15(11-26-18)12-30(2)23(34)32(21)16-5-7-31(8-6-16)13-19(24)33;1-29-11-15-10-25-18-3-2-17(14-8-26-20(13-32)27-9-14)28-21(18)22(15)31(23(29)34)16-4-6-30(7-5-16)12-19(24)33;1-29-12-15-11-25-18-4-3-17(14-9-26-22(34-2)27-10-14)28-20(18)21(15)31(23(29)33)16-5-7-30(8-6-16)13-19(24)32/h2-3,12-14,19H,4-11,15-16H2,1H3,(H2,27,36);2-4,7-8,11-13,18H,5-6,9-10,14-15H2,1H3,(H2,26,36);3-4,10-12,18H,5-9,13-14H2,1-2H3,(H2,26,35);3-4,9-11,16H,5-8,12-13H2,2H3,(H2,24,33);2-3,8-10,16,32H,4-7,11-13H2,1H3,(H2,24,33);3-4,9-11,16H,5-8,12-13H2,1-2H3,(H2,24,32).
What are the key properties of 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 2903.29 g/mol, XLogP of 9.37, 30 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[9-(2-isocyanopyrimidin-5-yl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-[2-(2-oxopropyl)pyrimidin-5-yl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide;2-[4-[3-methyl-2-oxo-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 157274770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).