About 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 159371780) has the molecular formula C161H180N42O20S
and a molecular weight of 3055.55 g/mol. Its IUPAC name is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-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-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 159371780) is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-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-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-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-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-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(=O)[C@H](C)O)CC2)C(=O)N(C)C4)cn1.CSc1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)[C@H](C)O)CC2)C(=O)N(C)C4)cn1.C[C@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(-n6cccn6)nc5)nc4c32)CC1.C[C@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N6CCN(C)CC6)nc5)nc4c32)CC1.C[C@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N6CCOCC6)nc5)nc4c32)CC1.[C-]#[N+]c1ccc(-c2ccc3ncc4c(c3n2)N(C2CCN(C(=O)[C@H](C)O)CC2)C(=O)N(C)C4)cn1.
What is the InChIKey of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is LJVLEYLRZKPSGB-UVBSEQKISA-N. The full InChI is InChI=1S/C29H36N8O3.C28H33N7O4.C27H28N8O3.C27H30N6O4.C25H25N7O3.C25H28N6O3S/c1-19(38)28(39)36-10-8-22(9-11-36)37-27-21(18-34(3)29(37)40)17-30-24-6-5-23(32-26(24)27)20-4-7-25(31-16-20)35-14-12-33(2)13-15-35;1-18(36)27(37)34-9-7-21(8-10-34)35-26-20(17-32(2)28(35)38)16-29-23-5-4-22(31-25(23)26)19-3-6-24(30-15-19)33-11-13-39-14-12-33;1-17(36)26(37)33-12-8-20(9-13-33)35-25-19(16-32(2)27(35)38)15-28-22-6-5-21(31-24(22)25)18-4-7-23(29-14-18)34-11-3-10-30-34;1-16(34)12-20-5-4-18(13-28-20)22-6-7-23-24(30-22)25-19(14-29-23)15-31(3)27(37)33(25)21-8-10-32(11-9-21)26(36)17(2)35;1-15(33)24(34)31-10-8-18(9-11-31)32-23-17(14-30(3)25(32)35)13-27-20-6-5-19(29-22(20)23)16-4-7-21(26-2)28-12-16;1-15(32)24(33)30-10-8-18(9-11-30)31-23-17(14-29(2)25(31)34)13-26-20-6-5-19(28-22(20)23)16-4-7-21(35-3)27-12-16/h4-7,16-17,19,22,38H,8-15,18H2,1-3H3;3-6,15-16,18,21,36H,7-14,17H2,1-2H3;3-7,10-11,14-15,17,20,36H,8-9,12-13,16H2,1-2H3;4-7,13-14,17,21,35H,8-12,15H2,1-3H3;4-7,12-13,15,18,33H,8-11,14H2,1,3H3;4-7,12-13,15,18,32H,8-11,14H2,1-3H3/t19-;18-;2*17-;2*15-/m000000/s1.
What are the key properties of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-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 3055.55 g/mol, XLogP of 15.79, 24 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(6-isocyano-3-pyridinyl)-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-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 159371780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).