2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide

C163H198F3N35O14 — CID 161271997

IUPAC2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2cc(CO)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CN)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCN)cc3)CC4)cc2N=C(N)C1.CCCNC(=O)c1ccc(CN2CCc3ncc(NC(=O)c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)cc3C2)cc1
InChIInChI=1S/C37H44F2N8O3.C37H45N7O3.C36H44N8O3.C27H34N6O3.C26H31FN6O2/c1-3-12-47(13-4-2)36(50)28-15-26-9-10-27(17-32(26)45-33(41)18-28)35(49)44-30-16-29-21-46(14-11-31(29)42-19-30)20-24-5-7-25(8-6-24)34(48)43-23-37(38,39)22-40;1-4-14-39-35(45)26-9-7-25(8-10-26)23-43-17-13-32-30(24-43)19-31(22-40-32)41-36(46)28-12-11-27-18-29(21-34(38)42-33(27)20-28)37(47)44(15-5-2)16-6-3;1-3-14-44(15-4-2)36(47)28-17-26-9-10-27(19-32(26)42-33(38)20-28)35(46)41-30-18-29-23-43(16-11-31(29)40-21-30)22-24-5-7-25(8-6-24)34(45)39-13-12-37;1-3-7-33(8-4-2)27(36)18-9-17-10-20(16-34)22(13-24(17)32-25(28)12-18)26(35)31-21-11-19-14-29-6-5-23(19)30-15-21;1-3-7-33(8-4-2)26(35)17-9-16-11-21(27)20(13-23(16)32-24(28)12-17)25(34)31-19-10-18-14-29-6-5-22(18)30-15-19/h5-10,15-17,19H,3-4,11-14,18,20-23,40H2,1-2H3,(H2,41,45)(H,43,48)(H,44,49);7-12,18-20,22H,4-6,13-17,21,23-24H2,1-3H3,(H2,38,42)(H,39,45)(H,41,46);5-10,17-19,21H,3-4,11-16,20,22-23,37H2,1-2H3,(H2,38,42)(H,39,45)(H,41,46);9-11,13,15,29,34H,3-8,12,14,16H2,1-2H3,(H2,28,32)(H,31,35);9-11,13,15,29H,3-8,12,14H2,1-2H3,(H2,28,32)(H,31,34)
InChIKeyVDYDOJCNMOEODV-UHFFFAOYSA-N
MW2928.60 g/mol
LogP20.54
Rot. Bonds52

About 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide

2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide (PubChem CID 161271997) has the molecular formula C163H198F3N35O14 and a molecular weight of 2928.60 g/mol. Its IUPAC name is 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
PubChem CID161271997
Molecular FormulaC163H198F3N35O14
Molecular Weight2928.60 g/mol
Exact Mass2926.58
IUPAC Name2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2cc(CO)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CN)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCN)cc3)CC4)cc2N=C(N)C1.CCCNC(=O)c1ccc(CN2CCc3ncc(NC(=O)c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)cc3C2)cc1
InChIInChI=1S/C37H44F2N8O3.C37H45N7O3.C36H44N8O3.C27H34N6O3.C26H31FN6O2/c1-3-12-47(13-4-2)36(50)28-15-26-9-10-27(17-32(26)45-33(41)18-28)35(49)44-30-16-29-21-46(14-11-31(29)42-19-30)20-24-5-7-25(8-6-24)34(48)43-23-37(38,39)22-40;1-4-14-39-35(45)26-9-7-25(8-10-26)23-43-17-13-32-30(24-43)19-31(22-40-32)41-36(46)28-12-11-27-18-29(21-34(38)42-33(27)20-28)37(47)44(15-5-2)16-6-3;1-3-14-44(15-4-2)36(47)28-17-26-9-10-27(19-32(26)42-33(38)20-28)35(46)41-30-18-29-23-43(16-11-31(29)40-21-30)22-24-5-7-25(8-6-24)34(45)39-13-12-37;1-3-7-33(8-4-2)27(36)18-9-17-10-20(16-34)22(13-24(17)32-25(28)12-18)26(35)31-21-11-19-14-29-6-5-23(19)30-15-21;1-3-7-33(8-4-2)26(35)17-9-16-11-21(27)20(13-23(16)32-24(28)12-17)25(34)31-19-10-18-14-29-6-5-22(18)30-15-19/h5-10,15-17,19H,3-4,11-14,18,20-23,40H2,1-2H3,(H2,41,45)(H,43,48)(H,44,49);7-12,18-20,22H,4-6,13-17,21,23-24H2,1-3H3,(H2,38,42)(H,39,45)(H,41,46);5-10,17-19,21H,3-4,11-16,20,22-23,37H2,1-2H3,(H2,38,42)(H,39,45)(H,41,46);9-11,13,15,29,34H,3-8,12,14,16H2,1-2H3,(H2,28,32)(H,31,35);9-11,13,15,29H,3-8,12,14H2,1-2H3,(H2,28,32)(H,31,34)
InChIKeyVDYDOJCNMOEODV-UHFFFAOYSA-N
XLogP20.54
TPSA696.75 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds52
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002928.60
LogP ≤ 520.54
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[5-(pyridin-4-ylamino)-3-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042791
N-[3-[(4aR,5R)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(4aS,5R)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(4aR,5S)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(4aS,5S)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157238667
N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157275979
N-[3-[(4aR,6S)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6R)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157840352
CID 158010497
CID 158010497
(4aR,5R)-N-ethyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;(4aS,5S)-N-ethyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-fluoro-5-(hydroxymethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[5-fluoro-5-(hydroxymethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;9-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-N-ethyl-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;N-ethyl-9-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide
CID 158175277
CID 158217545
CID 158217545
(4aR,5R)-N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;bis((4aS,5R)-N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide);(4aS,5S)-N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;N-methyl-9-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide;N-methyl-9-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxamide
CID 158229776
2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 158417364
CID 158666760
CID 158666760
N-[3-(6-acetamido-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158840993
N-[5-[(4aS,5S)-5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-5-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-hydroxy-6-(trifluoromethyl)-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]pyridine-4-carboxamide;bis(N-[3-[5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[3-[6-hydroxy-6-(trifluoromethyl)-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158841141

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?
The IUPAC name of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide (CID 161271997) is 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide.
What is the SMILES notation for 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?
The canonical SMILES for 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide is CCCN(CCC)C(=O)C1=Cc2cc(CO)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2cc(F)c(C(=O)Nc3cnc4c(c3)CNCC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CN)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCN)cc3)CC4)cc2N=C(N)C1.CCCNC(=O)c1ccc(CN2CCc3ncc(NC(=O)c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)cc3C2)cc1.
What is the InChIKey of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?
The InChIKey is VDYDOJCNMOEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F2N8O3.C37H45N7O3.C36H44N8O3.C27H34N6O3.C26H31FN6O2/c1-3-12-47(13-4-2)36(50)28-15-26-9-10-27(17-32(26)45-33(41)18-28)35(49)44-30-16-29-21-46(14-11-31(29)42-19-30)20-24-5-7-25(8-6-24)34(48)43-23-37(38,39)22-40;1-4-14-39-35(45)26-9-7-25(8-10-26)23-43-17-13-32-30(24-43)19-31(22-40-32)41-36(46)28-12-11-27-18-29(21-34(38)42-33(27)20-28)37(47)44(15-5-2)16-6-3;1-3-14-44(15-4-2)36(47)28-17-26-9-10-27(19-32(26)42-33(38)20-28)35(46)41-30-18-29-23-43(16-11-31(29)40-21-30)22-24-5-7-25(8-6-24)34(45)39-13-12-37;1-3-7-33(8-4-2)27(36)18-9-17-10-20(16-34)22(13-24(17)32-25(28)12-18)26(35)31-21-11-19-14-29-6-5-23(19)30-15-21;1-3-7-33(8-4-2)26(35)17-9-16-11-21(27)20(13-23(16)32-24(28)12-17)25(34)31-19-10-18-14-29-6-5-22(18)30-15-19/h5-10,15-17,19H,3-4,11-14,18,20-23,40H2,1-2H3,(H2,41,45)(H,43,48)(H,44,49);7-12,18-20,22H,4-6,13-17,21,23-24H2,1-3H3,(H2,38,42)(H,39,45)(H,41,46);5-10,17-19,21H,3-4,11-16,20,22-23,37H2,1-2H3,(H2,38,42)(H,39,45)(H,41,46);9-11,13,15,29,34H,3-8,12,14,16H2,1-2H3,(H2,28,32)(H,31,35);9-11,13,15,29H,3-8,12,14H2,1-2H3,(H2,28,32)(H,31,34).
What are the key properties of 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide?
2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide has a molecular weight of 2928.60 g/mol, XLogP of 20.54, 52 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-N-[6-[[4-[(3-amino-2,2-difluoropropyl)carbamoyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-fluoro-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-7-(hydroxymethyl)-4-N,4-N-dipropyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide is sourced from PubChem (CID 161271997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).