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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)

C163H204F6N36O17 — CID 159187543

IUPAC2-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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(C(=O)NCCN)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(N)CC4)nc3)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.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(C4CCNC4)c3)cc2N=C(N)C1.CCCNC(=O)c1ccc(CN2CCc3ncc(NC(=O)c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)cc3C2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C37H45N7O3.C36H44N8O3.C31H42N8O3.C28H37N7O2.C27H34N6O2.2C2HF3O2/c1-4-14-39-35(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)31(42)24-17-22-5-6-23(18-26(22)37-27(33)19-24)30(41)36-25-7-8-28(35-20-25)38-15-9-21(10-16-38)29(40)34-12-11-32;1-3-11-35(12-4-2)28(37)21-15-19-5-6-20(16-24(19)33-25(30)17-21)27(36)32-23-7-8-26(31-18-23)34-13-9-22(29)10-14-34;1-3-9-33(10-4-2)27(35)21-11-18-5-6-19(13-24(18)32-25(28)14-21)26(34)31-23-12-22(16-30-17-23)20-7-8-29-15-20;2*3-2(4,5)1(6)7/h7-12,18-20,22H,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);5-8,17-18,20-21H,3-4,9-16,19,32H2,1-2H3,(H2,33,37)(H,34,40)(H,36,41);5-8,15-16,18,22H,3-4,9-14,17,29H2,1-2H3,(H2,30,33)(H,32,36);5-6,11-13,16-17,20,29H,3-4,7-10,14-15H2,1-2H3,(H2,28,32)(H,31,34);2*(H,6,7)
InChIKeyPIPRRZRKYCVUTB-UHFFFAOYSA-N
MW3053.65 g/mol
LogP21.30
Rot. Bonds51

About 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)

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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 159187543) has the molecular formula C163H204F6N36O17 and a molecular weight of 3053.65 g/mol. Its IUPAC name is 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID159187543
Molecular FormulaC163H204F6N36O17
Molecular Weight3053.65 g/mol
Exact Mass3051.61
IUPAC Name2-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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(C(=O)NCCN)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(N)CC4)nc3)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.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(C4CCNC4)c3)cc2N=C(N)C1.CCCNC(=O)c1ccc(CN2CCc3ncc(NC(=O)c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)cc3C2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C37H45N7O3.C36H44N8O3.C31H42N8O3.C28H37N7O2.C27H34N6O2.2C2HF3O2/c1-4-14-39-35(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)31(42)24-17-22-5-6-23(18-26(22)37-27(33)19-24)30(41)36-25-7-8-28(35-20-25)38-15-9-21(10-16-38)29(40)34-12-11-32;1-3-11-35(12-4-2)28(37)21-15-19-5-6-20(16-24(19)33-25(30)17-21)27(36)32-23-7-8-26(31-18-23)34-13-9-22(29)10-14-34;1-3-9-33(10-4-2)27(35)21-11-18-5-6-19(13-24(18)32-25(28)14-21)26(34)31-23-12-22(16-30-17-23)20-7-8-29-15-20;2*3-2(4,5)1(6)7/h7-12,18-20,22H,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);5-8,17-18,20-21H,3-4,9-16,19,32H2,1-2H3,(H2,33,37)(H,34,40)(H,36,41);5-8,15-16,18,22H,3-4,9-14,17,29H2,1-2H3,(H2,30,33)(H,32,36);5-6,11-13,16-17,20,29H,3-4,7-10,14-15H2,1-2H3,(H2,28,32)(H,31,34);2*(H,6,7)
InChIKeyPIPRRZRKYCVUTB-UHFFFAOYSA-N
XLogP21.30
TPSA768.35 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds51
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.65
LogP ≤ 521.30
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Analyze 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

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US8653087, III-455
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US8653087, III-456
CID 68036255
US8653087, III-509
CID 68036324
3-[[6-(3,3-difluoropyrrolidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
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CID 91558540

Frequently Asked Questions

What is the IUPAC name of 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid) (CID 159187543) is 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid) is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(C(=O)NCCN)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(N)CC4)nc3)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.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(C4CCNC4)c3)cc2N=C(N)C1.CCCNC(=O)c1ccc(CN2CCc3ncc(NC(=O)c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)cc3C2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PIPRRZRKYCVUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N7O3.C36H44N8O3.C31H42N8O3.C28H37N7O2.C27H34N6O2.2C2HF3O2/c1-4-14-39-35(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)31(42)24-17-22-5-6-23(18-26(22)37-27(33)19-24)30(41)36-25-7-8-28(35-20-25)38-15-9-21(10-16-38)29(40)34-12-11-32;1-3-11-35(12-4-2)28(37)21-15-19-5-6-20(16-24(19)33-25(30)17-21)27(36)32-23-7-8-26(31-18-23)34-13-9-22(29)10-14-34;1-3-9-33(10-4-2)27(35)21-11-18-5-6-19(13-24(18)32-25(28)14-21)26(34)31-23-12-22(16-30-17-23)20-7-8-29-15-20;2*3-2(4,5)1(6)7/h7-12,18-20,22H,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);5-8,17-18,20-21H,3-4,9-16,19,32H2,1-2H3,(H2,33,37)(H,34,40)(H,36,41);5-8,15-16,18,22H,3-4,9-14,17,29H2,1-2H3,(H2,30,33)(H,32,36);5-6,11-13,16-17,20,29H,3-4,7-10,14-15H2,1-2H3,(H2,28,32)(H,31,34);2*(H,6,7).
What are the key properties of 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)?
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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 3053.65 g/mol, XLogP of 21.30, 51 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-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-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159187543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).