N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide

C17H17N5O3S — CID 133463158

IUPACN-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCCNc2nc3ccccn3c2C#N)cc1
InChIInChI=1S/C17H17N5O3S/c1-26(23,24)21-13-5-7-14(8-6-13)25-11-9-19-17-15(12-18)22-10-3-2-4-16(22)20-17/h2-8,10,19,21H,9,11H2,1H3
InChIKeyIAOVQCUMRFTJJN-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.07
Rot. Bonds7

About N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide

N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide (PubChem CID 133463158) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
PubChem CID133463158
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCCNc2nc3ccccn3c2C#N)cc1
InChIInChI=1S/C17H17N5O3S/c1-26(23,24)21-13-5-7-14(8-6-13)25-11-9-19-17-15(12-18)22-10-3-2-4-16(22)20-17/h2-8,10,19,21H,9,11H2,1H3
InChIKeyIAOVQCUMRFTJJN-UHFFFAOYSA-N
XLogP2.07
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
CID 75501853
N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide
CID 133452228
2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 86787000
N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463157
2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-N-prop-2-enylacetamide
CID 133463556
2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133474557
2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62143002
2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 75453544
N-propyl-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62150339
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
5,6-dimethyl-3-[2-(4-methylsulfonylphenoxy)ethylamino]pyridazine-4-carbonitrile
CID 154748089

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide (CID 133463158) is N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCCNc2nc3ccccn3c2C#N)cc1.
What is the InChIKey of N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
The InChIKey is IAOVQCUMRFTJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-26(23,24)21-13-5-7-14(8-6-13)25-11-9-19-17-15(12-18)22-10-3-2-4-16(22)20-17/h2-8,10,19,21H,9,11H2,1H3.
What are the key properties of N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide?
N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 133463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).