5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid

C70H68N12O8 — CID 160674985

IUPAC5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)CC1.Cc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(N)cc2)CC1.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C35H32N6O4.C28H29N5O.C7H7NO3/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45;1-20-31-26-18-30-14-11-27(26)33(20)19-21-12-15-32(16-13-21)28(34)17-25(22-5-3-2-4-6-22)23-7-9-24(29)10-8-23;8-4-1-2-6(9)5(3-4)7(10)11/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);2-11,14,17-18,21H,12-13,15-16,19,29H2,1H3;1-3,9H,8H2,(H,10,11)/b29-20-,39-38+;25-17-;
InChIKeyRNKLAUOCOXJFFD-BUMJYFEPSA-N
MW1205.39 g/mol
LogP12.29
Rot. Bonds14

About 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid

5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid (PubChem CID 160674985) has the molecular formula C70H68N12O8 and a molecular weight of 1205.39 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
PubChem CID160674985
Molecular FormulaC70H68N12O8
Molecular Weight1205.39 g/mol
Exact Mass1204.53
IUPAC Name5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)CC1.Cc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(N)cc2)CC1.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C35H32N6O4.C28H29N5O.C7H7NO3/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45;1-20-31-26-18-30-14-11-27(26)33(20)19-21-12-15-32(16-13-21)28(34)17-25(22-5-3-2-4-6-22)23-7-9-24(29)10-8-23;8-4-1-2-6(9)5(3-4)7(10)11/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);2-11,14,17-18,21H,12-13,15-16,19,29H2,1H3;1-3,9H,8H2,(H,10,11)/b29-20-,39-38+;25-17-;
InChIKeyRNKLAUOCOXJFFD-BUMJYFEPSA-N
XLogP12.29
TPSA293.86 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001205.39
LogP ≤ 512.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid with MolForge

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Related Compounds

Dersalazine
CID 135484128
2-Hydroxy-5-[[4-[[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-phenylsulfamoyl]phenyl]diazenyl]benzoic acid
CID 135427371
2-Hydroxy-5-[[4-[2-methyl-4-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-4-oxobutan-2-yl]phenyl]diazenyl]benzoic acid
CID 135442151
2-hydroxy-5-[[4-[(E)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
CID 135450874
Dersalazine sodium
CID 135565341
N-[[4-[2-(2-amino-3-pyridinyl)-5-[2-fluoro-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide
CID 169175233
2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
CID 135666664
N-[1-[3-[2-(2-amino-3-pyridinyl)-3-[4-[[2-(4-formyl-3-hydroxyphenyl)ethylamino]methyl]phenyl]imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-4-yl]-N-methylacetamide
CID 169175479
N-(4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-2-hydroxybenzamide
CID 176268092
3-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)-2-hydroxybenzoic acid
CID 176268172
CID 135484142
CID 135484142
2-Hydroxy-5-[[4-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid
CID 214349

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid?
The IUPAC name of 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid (CID 160674985) is 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid?
The canonical SMILES for 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid is Cc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)CC1.Cc1nc2cnccc2n1CC1CCN(C(=O)/C=C(/c2ccccc2)c2ccc(N)cc2)CC1.Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid?
The InChIKey is RNKLAUOCOXJFFD-BUMJYFEPSA-N. The full InChI is InChI=1S/C35H32N6O4.C28H29N5O.C7H7NO3/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45;1-20-31-26-18-30-14-11-27(26)33(20)19-21-12-15-32(16-13-21)28(34)17-25(22-5-3-2-4-6-22)23-7-9-24(29)10-8-23;8-4-1-2-6(9)5(3-4)7(10)11/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);2-11,14,17-18,21H,12-13,15-16,19,29H2,1H3;1-3,9H,8H2,(H,10,11)/b29-20-,39-38+;25-17-;.
What are the key properties of 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid?
5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid has a molecular weight of 1205.39 g/mol, XLogP of 12.29, 14 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxybenzoic acid;(Z)-3-(4-aminophenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one;2-hydroxy-5-[[4-[(Z)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 160674985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).