sodium;hydride;2-hydroxy-5-[[4-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid

C35H33N6NaO4 — CID 173235974

IUPACsodium;hydride;2-hydroxy-5-[[4-[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.[H-].[Na+]
InChIInChI=1S/C35H32N6O4.Na.H/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;;/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);;/q;+1;-1/b29-20?,39-38+;;
InChIKeyRVXKHQIRBAOZMD-LDRUIBCSSA-N
MW624.68 g/mol
LogP4.05
Rot. Bonds8

About sodium;hydride;2-hydroxy-5-[[4-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid

sodium;hydride;2-hydroxy-5-[[4-[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 173235974) has the molecular formula C35H33N6NaO4 and a molecular weight of 624.68 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-5-[[4-[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 Namesodium;hydride;2-hydroxy-5-[[4-[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 CID173235974
Molecular FormulaC35H33N6NaO4
Molecular Weight624.68 g/mol
Exact Mass624.25
IUPAC Namesodium;hydride;2-hydroxy-5-[[4-[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.[H-].[Na+]
InChIInChI=1S/C35H32N6O4.Na.H/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;;/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);;/q;+1;-1/b29-20?,39-38+;;
InChIKeyRVXKHQIRBAOZMD-LDRUIBCSSA-N
XLogP4.05
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.68
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze sodium;hydride;2-hydroxy-5-[[4-[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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135484142
CID 135484142
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
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(1-phenylethyl)piperidine-1-carboxamide
CID 19711184
3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10620542
N-[1-(4-aminophenyl)ethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
CID 11728913
5-[[4-[[[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 135542374
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 10885807
4-bromo-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
CID 54019390
2-methyl-1-(piperidin-4-ylmethyl)imidazo[4,5-c]pyridine
CID 10847078
4-methoxy-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]indole-1-carboxamide
CID 54435221
ethyl N-[1-(4-aminophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 11005105

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-5-[[4-[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 sodium;hydride;2-hydroxy-5-[[4-[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 173235974) is sodium;hydride;2-hydroxy-5-[[4-[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 sodium;hydride;2-hydroxy-5-[[4-[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 sodium;hydride;2-hydroxy-5-[[4-[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.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-5-[[4-[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 RVXKHQIRBAOZMD-LDRUIBCSSA-N. The full InChI is InChI=1S/C35H32N6O4.Na.H/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;;/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45);;/q;+1;-1/b29-20?,39-38+;;.
What are the key properties of sodium;hydride;2-hydroxy-5-[[4-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylprop-1-enyl]phenyl]diazenyl]benzoic acid?
sodium;hydride;2-hydroxy-5-[[4-[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 624.68 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-5-[[4-[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 173235974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).