1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid

C16H19N3O3S — CID 119354011

IUPAC1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc2nc(CSCC(=O)N3CCC(C(=O)O)C3)cn2c1
InChIInChI=1S/C16H19N3O3S/c1-11-2-3-14-17-13(8-19(14)6-11)9-23-10-15(20)18-5-4-12(7-18)16(21)22/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,21,22)
InChIKeyHYXWAQWCISJTCK-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.81
Rot. Bonds5

About 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid

1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354011) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119354011
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc2nc(CSCC(=O)N3CCC(C(=O)O)C3)cn2c1
InChIInChI=1S/C16H19N3O3S/c1-11-2-3-14-17-13(8-19(14)6-11)9-23-10-15(20)18-5-4-12(7-18)16(21)22/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,21,22)
InChIKeyHYXWAQWCISJTCK-UHFFFAOYSA-N
XLogP1.81
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 119485975
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355795
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 120659724
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
CID 119663709
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354805
2-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 154865681
1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 63032493
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 86990583
(3R)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]piperidine-3-carboxylic acid
CID 81118867
N-[(2-hydroxycyclopentyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 111471196
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 86984925
2-methyl-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
CID 81228979

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid (CID 119354011) is 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid is Cc1ccc2nc(CSCC(=O)N3CCC(C(=O)O)C3)cn2c1.
What is the InChIKey of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HYXWAQWCISJTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-2-3-14-17-13(8-19(14)6-11)9-23-10-15(20)18-5-4-12(7-18)16(21)22/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,21,22).
What are the key properties of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid?
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).