About 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine
4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine (PubChem CID 158443591) has the molecular formula C150H154Cl6F11N33O3
and a molecular weight of 2888.81 g/mol. Its IUPAC name is 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine.
Frequently Asked Questions
What is the IUPAC name of 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine?
The IUPAC name of 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine (CID 158443591) is 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine.
What is the SMILES notation for 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine?
The canonical SMILES for 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine is CN1CCN(c2ccc(-c3cnc4c(n3)N(Cc3cccnc3Cl)CCC4)cn2)CC1.Cc1c(-c2ccc(-n3cccc3CN)nc2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCCC2.Cc1c(-c2ccnc(NC3CCCNC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.FC(F)(F)c1ccc(Cl)c(CN2CCCCc3ncc(-c4ccc(C5CCNCC5)cn4)nc32)c1.Fc1c(-c2cnc3c(n2)N(Cc2cc(C(F)(F)F)ccc2Cl)CCC3)ccnc1N1CCOCC1.O=C(c1cc(-c2cnc3c(n2)N(Cc2cccnc2Cl)CCCC3)ccn1)N1CCOCC1.
What is the InChIKey of 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine?
The InChIKey is HDCPKTDKUQHSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N5.C26H27ClF3N5.C26H28ClF2N5.C24H22ClF4N5O.C24H25ClN6O2.C23H26ClN7/c1-17-20(18-7-10-25(33-14-18)35-12-4-5-19(35)13-31)15-32-24-6-2-3-11-34(27(17)24)16-21-22(29)8-9-23(30)26(21)28;27-21-6-5-20(26(28,29)30)13-19(21)16-35-12-2-1-3-23-25(35)34-24(15-33-23)22-7-4-18(14-32-22)17-8-10-31-11-9-17;1-16-19(17-8-10-31-24(12-17)33-18-4-2-9-30-13-18)14-32-23-5-3-11-34(26(16)23)15-20-21(28)6-7-22(29)25(20)27;25-18-4-3-16(24(27,28)29)12-15(18)14-34-7-1-2-19-22(34)32-20(13-31-19)17-5-6-30-23(21(17)26)33-8-10-35-11-9-33;25-22-18(4-3-7-27-22)16-31-9-2-1-5-19-23(31)29-21(15-28-19)17-6-8-26-20(14-17)24(32)30-10-12-33-13-11-30;1-29-10-12-30(13-11-29)21-7-6-17(14-27-21)20-15-26-19-5-3-9-31(23(19)28-20)16-18-4-2-8-25-22(18)24/h4-5,7-10,12,14-15H,2-3,6,11,13,16,31H2,1H3;4-7,13-15,17,31H,1-3,8-12,16H2;6-8,10,12,14,18,30H,2-5,9,11,13,15H2,1H3,(H,31,33);3-6,12-13H,1-2,7-11,14H2;3-4,6-8,14-15H,1-2,5,9-13,16H2;2,4,6-8,14-15H,3,5,9-13,16H2,1H3.
What are the key properties of 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine?
4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine has a molecular weight of 2888.81 g/mol, XLogP of 29.33, 26 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-N-piperidin-3-ylpyridin-2-amine;[1-[5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]-2-pyridinyl]pyrrol-2-yl]methanamine;5-[(2-chloro-3-pyridinyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone;4-[4-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-3-fluoro-2-pyridinyl]morpholine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(5-piperidin-4-yl-2-pyridinyl)-6,7,8,9-tetrahydropyrazino[2,3-b]azepine is sourced from PubChem (CID 158443591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).