2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)

C183H243F6N37O18 — CID 157085877

IUPAC2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)
SMILESC.C.C.C.C.C.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)Nc3ccc(N4CCCC(C)C4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCCC(N)C4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CC(C)C4)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)Nc3cncc(C4CCNC4)c3)cc2N=C(N)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C34H38N6O4.C29H38N6O2.2C28H37N7O2.C27H34N6O2.C27H33N5O2.2C2HF3O2.6CH4/c1-3-13-39(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;1-4-12-34(13-5-2)29(37)23-15-21-8-9-22(16-25(21)33-26(30)17-23)28(36)32-24-10-11-27(31-18-24)35-14-6-7-20(3)19-35;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;1-3-11-34(12-4-2)28(37)21-14-19-7-8-20(15-24(19)33-25(30)16-21)27(36)32-23-9-10-26(31-17-23)35-13-5-6-22(29)18-35;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;1-4-8-32(9-5-2)27(34)21-12-18-6-7-19(14-24(18)31-25(28)15-21)26(33)30-22-13-20-10-17(3)11-23(20)29-16-22;2*3-2(4,5)1(6)7;;;;;;/h5-11,16-18,20H,3-4,12-15,19,21-22H2,1-2H3,(H2,35,38)(H,37,41);8-11,15-16,18,20H,4-7,12-14,17,19H2,1-3H3,(H2,30,33)(H,32,36);5-8,15-16,18,22H,3-4,9-14,17,29H2,1-2H3,(H2,30,33)(H,32,36);7-10,14-15,17,22H,3-6,11-13,16,18,29H2,1-2H3,(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);6-7,12-14,16-17H,4-5,8-11,15H2,1-3H3,(H2,28,31)(H,30,33);2*(H,6,7);6*1H4
InChIKeyPYNOXOAGMHJKFB-UHFFFAOYSA-N
MW3363.19 g/mol
LogP31.23
Rot. Bonds48

About 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)

2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 157085877) has the molecular formula C183H243F6N37O18 and a molecular weight of 3363.19 g/mol. Its IUPAC name is 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)
PubChem CID157085877
Molecular FormulaC183H243F6N37O18
Molecular Weight3363.19 g/mol
Exact Mass3360.91
IUPAC Name2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)
SMILESC.C.C.C.C.C.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)Nc3ccc(N4CCCC(C)C4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCCC(N)C4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CC(C)C4)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)Nc3cncc(C4CCNC4)c3)cc2N=C(N)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C34H38N6O4.C29H38N6O2.2C28H37N7O2.C27H34N6O2.C27H33N5O2.2C2HF3O2.6CH4/c1-3-13-39(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;1-4-12-34(13-5-2)29(37)23-15-21-8-9-22(16-25(21)33-26(30)17-23)28(36)32-24-10-11-27(31-18-24)35-14-6-7-20(3)19-35;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;1-3-11-34(12-4-2)28(37)21-14-19-7-8-20(15-24(19)33-25(30)16-21)27(36)32-23-9-10-26(31-17-23)35-13-5-6-22(29)18-35;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;1-4-8-32(9-5-2)27(34)21-12-18-6-7-19(14-24(18)31-25(28)15-21)26(33)30-22-13-20-10-17(3)11-23(20)29-16-22;2*3-2(4,5)1(6)7;;;;;;/h5-11,16-18,20H,3-4,12-15,19,21-22H2,1-2H3,(H2,35,38)(H,37,41);8-11,15-16,18,20H,4-7,12-14,17,19H2,1-3H3,(H2,30,33)(H,32,36);5-8,15-16,18,22H,3-4,9-14,17,29H2,1-2H3,(H2,30,33)(H,32,36);7-10,14-15,17,22H,3-6,11-13,16,18,29H2,1-2H3,(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);6-7,12-14,16-17H,4-5,8-11,15H2,1-3H3,(H2,28,31)(H,30,33);2*(H,6,7);6*1H4
InChIKeyPYNOXOAGMHJKFB-UHFFFAOYSA-N
XLogP31.23
TPSA782.01 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds48
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003363.19
LogP ≤ 531.23
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Analyze 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid) (CID 157085877) is 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid) is C.C.C.C.C.C.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)Nc3ccc(N4CCCC(C)C4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCCC(N)C4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CC(C)C4)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)Nc3cncc(C4CCNC4)c3)cc2N=C(N)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PYNOXOAGMHJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O4.C29H38N6O2.2C28H37N7O2.C27H34N6O2.C27H33N5O2.2C2HF3O2.6CH4/c1-3-13-39(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;1-4-12-34(13-5-2)29(37)23-15-21-8-9-22(16-25(21)33-26(30)17-23)28(36)32-24-10-11-27(31-18-24)35-14-6-7-20(3)19-35;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;1-3-11-34(12-4-2)28(37)21-14-19-7-8-20(15-24(19)33-25(30)16-21)27(36)32-23-9-10-26(31-17-23)35-13-5-6-22(29)18-35;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;1-4-8-32(9-5-2)27(34)21-12-18-6-7-19(14-24(18)31-25(28)15-21)26(33)30-22-13-20-10-17(3)11-23(20)29-16-22;2*3-2(4,5)1(6)7;;;;;;/h5-11,16-18,20H,3-4,12-15,19,21-22H2,1-2H3,(H2,35,38)(H,37,41);8-11,15-16,18,20H,4-7,12-14,17,19H2,1-3H3,(H2,30,33)(H,32,36);5-8,15-16,18,22H,3-4,9-14,17,29H2,1-2H3,(H2,30,33)(H,32,36);7-10,14-15,17,22H,3-6,11-13,16,18,29H2,1-2H3,(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);6-7,12-14,16-17H,4-5,8-11,15H2,1-3H3,(H2,28,31)(H,30,33);2*(H,6,7);6*1H4.
What are the key properties of 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid)?
2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 3363.19 g/mol, XLogP of 31.23, 48 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-N-[6-(3-aminopiperidin-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-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-(6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-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;methane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157085877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).