About 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 158276681) has the molecular formula C167H148F18N44O6S
and a molecular weight of 3241.35 g/mol. Its IUPAC name is 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
Frequently Asked Questions
What is the IUPAC name of 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 158276681) is 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1Cc2cnc3ccc(-c4c[nH]c5ncccc45)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc5c(c4)C=NC5)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccsc4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cn[nH]c4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc5ccccc5c4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnn(C)c4)nc3c2N(c2ccc(N3CCNCC3)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is GJRPQFSRWSEDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N7O.C30H26F3N7O.C29H25F3N8O.C26H25F3N8O.C26H23F3N6OS.C25H23F3N8O/c1-39-18-21-17-37-26-8-7-25(20-14-19-4-2-3-5-24(19)36-16-20)38-28(26)29(21)41(30(39)42)22-6-9-27(23(15-22)31(32,33)34)40-12-10-35-11-13-40;1-38-17-21-16-36-25-6-5-24(18-2-3-19-14-35-15-20(19)12-18)37-27(25)28(21)40(29(38)41)22-4-7-26(23(13-22)30(31,32)33)39-10-8-34-9-11-39;1-38-16-17-14-35-23-6-5-22(20-15-36-27-19(20)3-2-8-34-27)37-25(23)26(17)40(28(38)41)18-4-7-24(21(13-18)29(30,31)32)39-11-9-33-10-12-39;1-34-14-17-12-31-21-5-4-20(16-13-32-35(2)15-16)33-23(21)24(17)37(25(34)38)18-3-6-22(19(11-18)26(27,28)29)36-9-7-30-8-10-36;1-33-14-17-13-31-21-4-3-20(16-6-11-37-15-16)32-23(21)24(17)35(25(33)36)18-2-5-22(19(12-18)26(27,28)29)34-9-7-30-8-10-34;1-34-14-16-11-30-20-4-3-19(15-12-31-32-13-15)33-22(20)23(16)36(24(34)37)17-2-5-21(18(10-17)25(26,27)28)35-8-6-29-7-9-35/h2-9,14-17,35H,10-13,18H2,1H3;2-7,12-13,15-16,34H,8-11,14,17H2,1H3;2-8,13-15,33H,9-12,16H2,1H3,(H,34,36);3-6,11-13,15,30H,7-10,14H2,1-2H3;2-6,11-13,15,30H,7-10,14H2,1H3;2-5,10-13,29H,6-9,14H2,1H3,(H,31,32).
What are the key properties of 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 3241.35 g/mol, XLogP of 30.45, 18 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-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-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 158276681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).