About 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 159998390) has the molecular formula C176H166F18N52O8S
and a molecular weight of 3511.65 g/mol. Its IUPAC name is 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
Frequently Asked Questions
What is the IUPAC name of 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 159998390) is 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CN1CCN(c2ncc(-c3ccc4ncc5c(c4n3)N(c3ccc(N4CCNCC4)c(C(F)(F)F)c3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4cnc(-n5cccn5)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N5CCOCC5)nc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc5c(c4)C=CC5)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CSc1ncc(-c2ccc3ncc4c(c3n2)N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C(=O)N(C)C4)cn1.
What is the InChIKey of 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is OHVORWKRIZRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N10O.C30H30F3N9O2.C30H26F3N7O.C29H25F3N10O.C29H27F3N8O2.C27H25F3N8OS/c1-40-11-13-43(14-12-40)29-37-16-20(17-38-29)24-4-5-25-27(39-24)28-21(18-36-25)19-41(2)30(45)44(28)22-3-6-26(23(15-22)31(32,33)34)42-9-7-35-8-10-42;1-39-18-20-17-35-24-4-3-23(19-15-36-28(37-16-19)41-10-12-44-13-11-41)38-26(24)27(20)42(29(39)43)21-2-5-25(22(14-21)30(31,32)33)40-8-6-34-7-9-40;1-38-17-20-16-36-25-7-6-24(19-13-18-3-2-4-23(18)35-15-19)37-27(25)28(20)40(29(38)41)21-5-8-26(22(14-21)30(31,32)33)39-11-9-34-10-12-39;1-39-17-19-16-34-23-5-4-22(18-14-35-27(36-15-18)41-10-2-7-37-41)38-25(23)26(19)42(28(39)43)20-3-6-24(21(13-20)29(30,31)32)40-11-8-33-9-12-40;1-17(41)11-25-35-13-18(14-36-25)22-4-5-23-26(37-22)27-19(15-34-23)16-38(2)28(42)40(27)20-3-6-24(21(12-20)29(30,31)32)39-9-7-33-8-10-39;1-36-15-17-14-32-21-5-4-20(16-12-33-25(40-2)34-13-16)35-23(21)24(17)38(26(36)39)18-3-6-22(19(11-18)27(28,29)30)37-9-7-31-8-10-37/h3-6,15-18,35H,7-14,19H2,1-2H3;2-5,14-17,34H,6-13,18H2,1H3;2-3,5-8,13-16,34H,4,9-12,17H2,1H3;2-7,10,13-16,33H,8-9,11-12,17H2,1H3;3-6,12-15,33H,7-11,16H2,1-2H3;3-6,11-14,31H,7-10,15H2,1-2H3.
What are the key properties of 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 3511.65 g/mol, XLogP of 27.11, 24 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7H-cyclopenta[b]pyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-morpholin-4-ylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 159998390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).