4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid

C19H19N3O3S — CID 108788453

IUPAC4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid
SMILESCSCCC(NC(=O)c1ccn2cc(-c3ccccc3)nc2c1)C(=O)O
InChIInChI=1S/C19H19N3O3S/c1-26-10-8-15(19(24)25)21-18(23)14-7-9-22-12-16(20-17(22)11-14)13-5-3-2-4-6-13/h2-7,9,11-12,15H,8,10H2,1H3,(H,21,23)(H,24,25)
InChIKeyDCXZDLGGONMSJH-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.94
Rot. Bonds7

About 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid

4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid (PubChem CID 108788453) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid
PubChem CID108788453
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid
SMILESCSCCC(NC(=O)c1ccn2cc(-c3ccccc3)nc2c1)C(=O)O
InChIInChI=1S/C19H19N3O3S/c1-26-10-8-15(19(24)25)21-18(23)14-7-9-22-12-16(20-17(22)11-14)13-5-3-2-4-6-13/h2-7,9,11-12,15H,8,10H2,1H3,(H,21,23)(H,24,25)
InChIKeyDCXZDLGGONMSJH-UHFFFAOYSA-N
XLogP2.94
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
(2R)-2-[[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]butanedioic acid
CID 54392879
(2S)-2-[(1-benzylindole-6-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91640647
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
N-(5-hydroxypentyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788521
N-[(4-carbamoylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801462
1-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]pyrrole-3-carboxamide
CID 155036794
(2S)-4-methylsulfanyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 51048855
N-(5-acetamido-2-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788562
methyl 3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801384
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282515
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282517

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid (CID 108788453) is 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid is CSCCC(NC(=O)c1ccn2cc(-c3ccccc3)nc2c1)C(=O)O.
What is the InChIKey of 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid?
The InChIKey is DCXZDLGGONMSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-26-10-8-15(19(24)25)21-18(23)14-7-9-22-12-16(20-17(22)11-14)13-5-3-2-4-6-13/h2-7,9,11-12,15H,8,10H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid?
4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid has a molecular weight of 369.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid is sourced from PubChem (CID 108788453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).