2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one

C271H322Cl2F4N44O20S2 — CID 160843207

IUPAC2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
SMILESC=C1CCc2ccc(OCCCCN3CCc4ccc(C)cc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cccc(C#N)c4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4nn(-c5ccccn5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4sccc4C3)nc2N1
InChIInChI=1S/C25H29N5O2.C25H29N5O.C24H28N6O2.C23H26F3N3O.C23H26N4O.C23H29N3O.2C22H26ClN3O2.C22H26FN3O2.C22H27N3O2.2C20H25N3O2S/c31-23-10-6-7-19-11-12-24(27-25(19)26-23)32-16-5-4-14-29-15-13-22-20(17-29)18-30(28-22)21-8-2-1-3-9-21;1-19-9-10-20-11-12-24(27-25(20)26-19)31-16-6-5-14-29-15-13-23-21(17-29)18-30(28-23)22-7-3-2-4-8-22;31-22-8-5-6-18-9-10-23(27-24(18)26-22)32-15-4-3-13-29-14-11-20-19(16-29)17-30(28-20)21-7-1-2-12-25-21;1-16-7-8-18-9-10-21(28-22(18)27-16)30-14-3-2-12-29-13-11-17-5-4-6-20(19(17)15-29)23(24,25)26;1-17-7-8-19-9-10-22(26-23(19)25-17)28-14-3-2-12-27-13-11-18-5-4-6-20(15-24)21(18)16-27;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22;23-19-7-3-6-17-15-26(13-11-18(17)19)12-1-2-14-28-21-10-9-16-5-4-8-20(27)24-22(16)25-21;2*23-19-8-6-18-15-26(12-10-17(18)14-19)11-1-2-13-28-21-9-7-16-4-3-5-20(27)24-22(16)25-21;26-20-9-5-8-18-10-11-21(24-22(18)23-20)27-15-4-3-13-25-14-12-17-6-1-2-7-19(17)16-25;24-18-5-3-4-16-6-7-19(22-20(16)21-18)25-12-2-1-10-23-11-8-15-9-13-26-17(15)14-23;24-18-5-3-4-15-6-7-19(22-20(15)21-18)25-12-2-1-10-23-11-8-17-16(14-23)9-13-26-17/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,26,27,31);2-4,7-8,11-12,18H,1,5-6,9-10,13-17H2,(H,26,27);1-2,7,9-10,12,17H,3-6,8,11,13-16H2,(H,26,27,31);4-6,9-10H,1-3,7-8,11-15H2,(H,27,28);4-6,9-10H,1-3,7-8,11-14,16H2,(H,25,26);5,7,9-10,15H,2-4,6,8,11-14,16H2,1H3,(H,24,25);3,6-7,9-10H,1-2,4-5,8,11-15H2,(H,24,25,27);2*6-9,14H,1-5,10-13,15H2,(H,24,25,27);1-2,6-7,10-11H,3-5,8-9,12-16H2,(H,23,24,26);2*6-7,9,13H,1-5,8,10-12,14H2,(H,21,22,24)
InChIKeySIHNIUBLHPWDBI-UHFFFAOYSA-N
MW4726.88 g/mol
LogP47.99
Rot. Bonds75

About 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one

2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one (PubChem CID 160843207) has the molecular formula C271H322Cl2F4N44O20S2 and a molecular weight of 4726.88 g/mol. Its IUPAC name is 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one.

Molecular Properties

Compound Name2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
PubChem CID160843207
Molecular FormulaC271H322Cl2F4N44O20S2
Molecular Weight4726.88 g/mol
Exact Mass4722.43
IUPAC Name2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
SMILESC=C1CCc2ccc(OCCCCN3CCc4ccc(C)cc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cccc(C#N)c4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4nn(-c5ccccn5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4sccc4C3)nc2N1
InChIInChI=1S/C25H29N5O2.C25H29N5O.C24H28N6O2.C23H26F3N3O.C23H26N4O.C23H29N3O.2C22H26ClN3O2.C22H26FN3O2.C22H27N3O2.2C20H25N3O2S/c31-23-10-6-7-19-11-12-24(27-25(19)26-23)32-16-5-4-14-29-15-13-22-20(17-29)18-30(28-22)21-8-2-1-3-9-21;1-19-9-10-20-11-12-24(27-25(20)26-19)31-16-6-5-14-29-15-13-23-21(17-29)18-30(28-23)22-7-3-2-4-8-22;31-22-8-5-6-18-9-10-23(27-24(18)26-22)32-15-4-3-13-29-14-11-20-19(16-29)17-30(28-20)21-7-1-2-12-25-21;1-16-7-8-18-9-10-21(28-22(18)27-16)30-14-3-2-12-29-13-11-17-5-4-6-20(19(17)15-29)23(24,25)26;1-17-7-8-19-9-10-22(26-23(19)25-17)28-14-3-2-12-27-13-11-18-5-4-6-20(15-24)21(18)16-27;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22;23-19-7-3-6-17-15-26(13-11-18(17)19)12-1-2-14-28-21-10-9-16-5-4-8-20(27)24-22(16)25-21;2*23-19-8-6-18-15-26(12-10-17(18)14-19)11-1-2-13-28-21-9-7-16-4-3-5-20(27)24-22(16)25-21;26-20-9-5-8-18-10-11-21(24-22(18)23-20)27-15-4-3-13-25-14-12-17-6-1-2-7-19(17)16-25;24-18-5-3-4-16-6-7-19(22-20(16)21-18)25-12-2-1-10-23-11-8-15-9-13-26-17(15)14-23;24-18-5-3-4-15-6-7-19(22-20(15)21-18)25-12-2-1-10-23-11-8-17-16(14-23)9-13-26-17/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,26,27,31);2-4,7-8,11-12,18H,1,5-6,9-10,13-17H2,(H,26,27);1-2,7,9-10,12,17H,3-6,8,11,13-16H2,(H,26,27,31);4-6,9-10H,1-3,7-8,11-15H2,(H,27,28);4-6,9-10H,1-3,7-8,11-14,16H2,(H,25,26);5,7,9-10,15H,2-4,6,8,11-14,16H2,1H3,(H,24,25);3,6-7,9-10H,1-2,4-5,8,11-15H2,(H,24,25,27);2*6-9,14H,1-5,10-13,15H2,(H,24,25,27);1-2,6-7,10-11H,3-5,8-9,12-16H2,(H,23,24,26);2*6-7,9,13H,1-5,8,10-12,14H2,(H,21,22,24)
InChIKeySIHNIUBLHPWDBI-UHFFFAOYSA-N
XLogP47.99
TPSA675.38 Ų
H-Bond Donors12
H-Bond Acceptors58
Rotatable Bonds75
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004726.88
LogP ≤ 547.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1058

Analyze 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one with MolForge

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What is the IUPAC name of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The IUPAC name of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one (CID 160843207) is 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one.
What is the SMILES notation for 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The canonical SMILES for 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one is C=C1CCc2ccc(OCCCCN3CCc4ccc(C)cc4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cccc(C#N)c4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4cccc(C(F)(F)F)c4C3)nc2N1.C=C1CCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4c(Cl)cccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4cc(Cl)ccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4cc(F)ccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4ccccc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4ccsc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4nn(-c5ccccn5)cc4C3)nc2N1.O=C1CCCc2ccc(OCCCCN3CCc4sccc4C3)nc2N1.
What is the InChIKey of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
The InChIKey is SIHNIUBLHPWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C25H29N5O.C24H28N6O2.C23H26F3N3O.C23H26N4O.C23H29N3O.2C22H26ClN3O2.C22H26FN3O2.C22H27N3O2.2C20H25N3O2S/c31-23-10-6-7-19-11-12-24(27-25(19)26-23)32-16-5-4-14-29-15-13-22-20(17-29)18-30(28-22)21-8-2-1-3-9-21;1-19-9-10-20-11-12-24(27-25(20)26-19)31-16-6-5-14-29-15-13-23-21(17-29)18-30(28-23)22-7-3-2-4-8-22;31-22-8-5-6-18-9-10-23(27-24(18)26-22)32-15-4-3-13-29-14-11-20-19(16-29)17-30(28-20)21-7-1-2-12-25-21;1-16-7-8-18-9-10-21(28-22(18)27-16)30-14-3-2-12-29-13-11-17-5-4-6-20(19(17)15-29)23(24,25)26;1-17-7-8-19-9-10-22(26-23(19)25-17)28-14-3-2-12-27-13-11-18-5-4-6-20(15-24)21(18)16-27;1-17-5-7-19-11-13-26(16-21(19)15-17)12-3-4-14-27-22-10-9-20-8-6-18(2)24-23(20)25-22;23-19-7-3-6-17-15-26(13-11-18(17)19)12-1-2-14-28-21-10-9-16-5-4-8-20(27)24-22(16)25-21;2*23-19-8-6-18-15-26(12-10-17(18)14-19)11-1-2-13-28-21-9-7-16-4-3-5-20(27)24-22(16)25-21;26-20-9-5-8-18-10-11-21(24-22(18)23-20)27-15-4-3-13-25-14-12-17-6-1-2-7-19(17)16-25;24-18-5-3-4-16-6-7-19(22-20(16)21-18)25-12-2-1-10-23-11-8-15-9-13-26-17(15)14-23;24-18-5-3-4-15-6-7-19(22-20(15)21-18)25-12-2-1-10-23-11-8-17-16(14-23)9-13-26-17/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,26,27,31);2-4,7-8,11-12,18H,1,5-6,9-10,13-17H2,(H,26,27);1-2,7,9-10,12,17H,3-6,8,11,13-16H2,(H,26,27,31);4-6,9-10H,1-3,7-8,11-15H2,(H,27,28);4-6,9-10H,1-3,7-8,11-14,16H2,(H,25,26);5,7,9-10,15H,2-4,6,8,11-14,16H2,1H3,(H,24,25);3,6-7,9-10H,1-2,4-5,8,11-15H2,(H,24,25,27);2*6-9,14H,1-5,10-13,15H2,(H,24,25,27);1-2,6-7,10-11H,3-5,8-9,12-16H2,(H,23,24,26);2*6-7,9,13H,1-5,8,10-12,14H2,(H,21,22,24).
What are the key properties of 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one?
2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one has a molecular weight of 4726.88 g/mol, XLogP of 47.99, 75 rotatable bonds, 12 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;7-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine;2-[4-[(7-methylidene-6,8-dihydro-5H-1,8-naphthyridin-2-yl)oxy]butyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile;2-methylidene-7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-methylidene-7-[4-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridine;2-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;2-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one is sourced from PubChem (CID 160843207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).