2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

C184H257N31O17 — CID 161340103

IUPAC2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(C(=O)NCCNC(=O)C5CCC(CCC(C)C)CC5)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCNC(=O)C5CCC(CCC(C)C)CC5)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)CCCCCNC(=O)C4CCC(CCC(C)C)CC4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CCCCCNC(=O)C4CCC(CCC(C)C)CC4)c3)cc2N=C(N)C1
InChIInChI=1S/C51H70N8O5.C48H64N8O4.C43H62N8O4.C42H61N7O4/c1-5-25-59(26-6-2)51(64)42-29-40-22-23-41(30-44(40)57-46(52)31-42)49(62)56-43-27-38(32-53-34-43)33-55-50(63)45(28-37-13-9-7-10-14-37)58-47(60)15-11-8-12-24-54-48(61)39-20-18-36(19-21-39)17-16-35(3)4;1-5-22-56(23-6-2)48(60)39-25-37-17-18-38(27-43(37)54-44(49)28-39)47(59)53-41-26-40-31-55(24-19-42(40)52-29-41)30-34-11-15-36(16-12-34)46(58)51-21-20-50-45(57)35-13-9-33(10-14-35)8-7-32(3)4;1-5-21-51(22-6-2)43(55)35-25-33-13-14-34(26-37(33)49-38(44)27-35)42(54)48-36-15-16-39(47-28-36)50-23-17-32(18-24-50)41(53)46-20-19-45-40(52)31-11-9-30(10-12-31)8-7-29(3)4;1-5-20-49(21-6-2)42(53)35-23-33-17-18-34(24-37(33)48-38(43)25-35)41(52)47-36-22-31(26-44-28-36)27-46-39(50)10-8-7-9-19-45-40(51)32-15-13-30(14-16-32)12-11-29(3)4/h7,9-10,13-14,22-23,27,29-30,32,34-36,39,45H,5-6,8,11-12,15-21,24-26,28,31,33H2,1-4H3,(H2,52,57)(H,54,61)(H,55,63)(H,56,62)(H,58,60);11-12,15-18,25-27,29,32-33,35H,5-10,13-14,19-24,28,30-31H2,1-4H3,(H2,49,54)(H,50,57)(H,51,58)(H,53,59);13-16,25-26,28-32H,5-12,17-24,27H2,1-4H3,(H2,44,49)(H,45,52)(H,46,53)(H,48,54);17-18,22-24,26,28-30,32H,5-16,19-21,25,27H2,1-4H3,(H2,43,48)(H,45,51)(H,46,50)(H,47,52)
InChIKeyVMNYQPYJZBCATR-UHFFFAOYSA-N
MW3175.28 g/mol
LogP29.17
Rot. Bonds75

About 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide

2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide (PubChem CID 161340103) has the molecular formula C184H257N31O17 and a molecular weight of 3175.28 g/mol. Its IUPAC name is 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide.

Molecular Properties

Compound Name2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
PubChem CID161340103
Molecular FormulaC184H257N31O17
Molecular Weight3175.28 g/mol
Exact Mass3173.02
IUPAC Name2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(C(=O)NCCNC(=O)C5CCC(CCC(C)C)CC5)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCNC(=O)C5CCC(CCC(C)C)CC5)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)CCCCCNC(=O)C4CCC(CCC(C)C)CC4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CCCCCNC(=O)C4CCC(CCC(C)C)CC4)c3)cc2N=C(N)C1
InChIInChI=1S/C51H70N8O5.C48H64N8O4.C43H62N8O4.C42H61N7O4/c1-5-25-59(26-6-2)51(64)42-29-40-22-23-41(30-44(40)57-46(52)31-42)49(62)56-43-27-38(32-53-34-43)33-55-50(63)45(28-37-13-9-7-10-14-37)58-47(60)15-11-8-12-24-54-48(61)39-20-18-36(19-21-39)17-16-35(3)4;1-5-22-56(23-6-2)48(60)39-25-37-17-18-38(27-43(37)54-44(49)28-39)47(59)53-41-26-40-31-55(24-19-42(40)52-29-41)30-34-11-15-36(16-12-34)46(58)51-21-20-50-45(57)35-13-9-33(10-14-35)8-7-32(3)4;1-5-21-51(22-6-2)43(55)35-25-33-13-14-34(26-37(33)49-38(44)27-35)42(54)48-36-15-16-39(47-28-36)50-23-17-32(18-24-50)41(53)46-20-19-45-40(52)31-11-9-30(10-12-31)8-7-29(3)4;1-5-20-49(21-6-2)42(53)35-23-33-17-18-34(24-37(33)48-38(43)25-35)41(52)47-36-22-31(26-44-28-36)27-46-39(50)10-8-7-9-19-45-40(51)32-15-13-30(14-16-32)12-11-29(3)4/h7,9-10,13-14,22-23,27,29-30,32,34-36,39,45H,5-6,8,11-12,15-21,24-26,28,31,33H2,1-4H3,(H2,52,57)(H,54,61)(H,55,63)(H,56,62)(H,58,60);11-12,15-18,25-27,29,32-33,35H,5-10,13-14,19-24,28,30-31H2,1-4H3,(H2,49,54)(H,50,57)(H,51,58)(H,53,59);13-16,25-26,28-32H,5-12,17-24,27H2,1-4H3,(H2,44,49)(H,45,52)(H,46,53)(H,48,54);17-18,22-24,26,28-30,32H,5-16,19-21,25,27H2,1-4H3,(H2,43,48)(H,45,51)(H,46,50)(H,47,52)
InChIKeyVMNYQPYJZBCATR-UHFFFAOYSA-N
XLogP29.17
TPSA671.10 Ų
H-Bond Donors17
H-Bond Acceptors31
Rotatable Bonds75
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003175.28
LogP ≤ 529.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The IUPAC name of 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide (CID 161340103) is 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide.
What is the SMILES notation for 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The canonical SMILES for 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(C(=O)NCCNC(=O)C5CCC(CCC(C)C)CC5)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCNC(=O)C5CCC(CCC(C)C)CC5)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)CCCCCNC(=O)C4CCC(CCC(C)C)CC4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CCCCCNC(=O)C4CCC(CCC(C)C)CC4)c3)cc2N=C(N)C1.
What is the InChIKey of 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
The InChIKey is VMNYQPYJZBCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H70N8O5.C48H64N8O4.C43H62N8O4.C42H61N7O4/c1-5-25-59(26-6-2)51(64)42-29-40-22-23-41(30-44(40)57-46(52)31-42)49(62)56-43-27-38(32-53-34-43)33-55-50(63)45(28-37-13-9-7-10-14-37)58-47(60)15-11-8-12-24-54-48(61)39-20-18-36(19-21-39)17-16-35(3)4;1-5-22-56(23-6-2)48(60)39-25-37-17-18-38(27-43(37)54-44(49)28-39)47(59)53-41-26-40-31-55(24-19-42(40)52-29-41)30-34-11-15-36(16-12-34)46(58)51-21-20-50-45(57)35-13-9-33(10-14-35)8-7-32(3)4;1-5-21-51(22-6-2)43(55)35-25-33-13-14-34(26-37(33)49-38(44)27-35)42(54)48-36-15-16-39(47-28-36)50-23-17-32(18-24-50)41(53)46-20-19-45-40(52)31-11-9-30(10-12-31)8-7-29(3)4;1-5-20-49(21-6-2)42(53)35-23-33-17-18-34(24-37(33)48-38(43)25-35)41(52)47-36-22-31(26-44-28-36)27-46-39(50)10-8-7-9-19-45-40(51)32-15-13-30(14-16-32)12-11-29(3)4/h7,9-10,13-14,22-23,27,29-30,32,34-36,39,45H,5-6,8,11-12,15-21,24-26,28,31,33H2,1-4H3,(H2,52,57)(H,54,61)(H,55,63)(H,56,62)(H,58,60);11-12,15-18,25-27,29,32-33,35H,5-10,13-14,19-24,28,30-31H2,1-4H3,(H2,49,54)(H,50,57)(H,51,58)(H,53,59);13-16,25-26,28-32H,5-12,17-24,27H2,1-4H3,(H2,44,49)(H,45,52)(H,46,53)(H,48,54);17-18,22-24,26,28-30,32H,5-16,19-21,25,27H2,1-4H3,(H2,43,48)(H,45,51)(H,46,50)(H,47,52).
What are the key properties of 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide?
2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide has a molecular weight of 3175.28 g/mol, XLogP of 29.17, 75 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-N-[6-[[4-[2-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]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-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]ethylcarbamoyl]piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[[[2-[6-[[4-(3-methylbutyl)cyclohexanecarbonyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]methyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide is sourced from PubChem (CID 161340103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).