N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

C19H22N4O5S — CID 983430

IUPACN'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1
InChIInChI=1S/C19H22N4O5S/c1-4-27-14-9-10-15(28-5-2)16(12-14)29(25,26)22-21-19(24)18-13(3)20-17-8-6-7-11-23(17)18/h6-12,22H,4-5H2,1-3H3,(H,21,24)
InChIKeyQYMRJYDSPZJMCM-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.06
Rot. Bonds8

About N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 983430) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID983430
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1
InChIInChI=1S/C19H22N4O5S/c1-4-27-14-9-10-15(28-5-2)16(12-14)29(25,26)22-21-19(24)18-13(3)20-17-8-6-7-11-23(17)18/h6-12,22H,4-5H2,1-3H3,(H,21,24)
InChIKeyQYMRJYDSPZJMCM-UHFFFAOYSA-N
XLogP2.06
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (CID 983430) is N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is CCOc1ccc(OCC)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1.
What is the InChIKey of N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is QYMRJYDSPZJMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-4-27-14-9-10-15(28-5-2)16(12-14)29(25,26)22-21-19(24)18-13(3)20-17-8-6-7-11-23(17)18/h6-12,22H,4-5H2,1-3H3,(H,21,24).
What are the key properties of N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 418.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-diethoxyphenyl)sulfonyl-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 983430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).