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

C197H236F3N41O18 — CID 158417364

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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
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(C(=O)OCc3ccccc3)CC4)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.C34H38N6O4.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;1-3-13-39(14-4-2)33(42)26-16-24-10-11-25(18-30(24)38-31(35)19-26)32(41)37-28-17-27-21-40(15-12-29(27)36-20-28)34(43)44-22-23-8-6-5-7-9-23;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);5-11,16-18,20H,3-4,12-15,19,21-22H2,1-2H3,(H2,35,38)(H,37,41);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)
InChIKeyHABHTASCKBVOMU-UHFFFAOYSA-N
MW3523.32 g/mol
LogP25.99
Rot. Bonds61

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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

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 (PubChem CID 158417364) has the molecular formula C197H236F3N41O18 and a molecular weight of 3523.32 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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID158417364
Molecular FormulaC197H236F3N41O18
Molecular Weight3523.32 g/mol
Exact Mass3520.88
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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
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(C(=O)OCc3ccccc3)CC4)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.C34H38N6O4.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;1-3-13-39(14-4-2)33(42)26-16-24-10-11-25(18-30(24)38-31(35)19-26)32(41)37-28-17-27-21-40(15-12-29(27)36-20-28)34(43)44-22-23-8-6-5-7-9-23;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);5-11,16-18,20H,3-4,12-15,19,21-22H2,1-2H3,(H2,35,38)(H,37,41);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)
InChIKeyHABHTASCKBVOMU-UHFFFAOYSA-N
XLogP25.99
TPSA826.97 Ų
H-Bond Donors20
H-Bond Acceptors43
Rotatable Bonds61
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003523.32
LogP ≤ 525.99
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1043

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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate with MolForge

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Related Compounds

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-[5-(4-amino-3-oxobutyl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane
CID 160683632
[4-(methylamino)phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 166966425
(4-formamidophenyl)methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 155426353
benzyl 6-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 138475760
[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 159526714
2-amino-4-N-ethyl-4-N-propyl-8-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3H-1-benzazepine-4,8-dicarboxamide
CID 167375470
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate
CID 159526710
[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 138492256
2-amino-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-[3-(dipropylamino)oxiran-2-yl]-3H-1-benzazepine-8-carboxamide
CID 162430914
[4-[[(2S)-5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-7-fluoro-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138691638
[4-[[2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 159606325
2-amino-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-propyl-3H-1-benzazepine-8-carboxamide;N-propylformamide
CID 156837114

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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 158417364) 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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate 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(C(=O)OCc3ccccc3)CC4)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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is HABHTASCKBVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F2N8O3.C37H45N7O3.C36H44N8O3.C34H38N6O4.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;1-3-13-39(14-4-2)33(42)26-16-24-10-11-25(18-30(24)38-31(35)19-26)32(41)37-28-17-27-21-40(15-12-29(27)36-20-28)34(43)44-22-23-8-6-5-7-9-23;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);5-11,16-18,20H,3-4,12-15,19,21-22H2,1-2H3,(H2,35,38)(H,37,41);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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
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 has a molecular weight of 3523.32 g/mol, XLogP of 25.99, 61 rotatable bonds, 20 hydrogen bond donors, and 43 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;benzyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 158417364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).