N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

C23H21N5O2S — CID 24628591

IUPACN'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1ccc(Sc2ncccc2C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1C
InChIInChI=1S/C23H21N5O2S/c1-14-9-10-17(13-15(14)2)31-23-18(7-6-11-24-23)21(29)26-27-22(30)20-16(3)25-19-8-4-5-12-28(19)20/h4-13H,1-3H3,(H,26,29)(H,27,30)
InChIKeyPMOVRVHESMUTMC-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.88
Rot. Bonds4

About N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 24628591) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID24628591
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1ccc(Sc2ncccc2C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1C
InChIInChI=1S/C23H21N5O2S/c1-14-9-10-17(13-15(14)2)31-23-18(7-6-11-24-23)21(29)26-27-22(30)20-16(3)25-19-8-4-5-12-28(19)20/h4-13H,1-3H3,(H,26,29)(H,27,30)
InChIKeyPMOVRVHESMUTMC-UHFFFAOYSA-N
XLogP3.88
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (CID 24628591) is N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is Cc1ccc(Sc2ncccc2C(=O)NNC(=O)c2c(C)nc3ccccn23)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is PMOVRVHESMUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14-9-10-17(13-15(14)2)31-23-18(7-6-11-24-23)21(29)26-27-22(30)20-16(3)25-19-8-4-5-12-28(19)20/h4-13H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 431.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 24628591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).