2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

C15H13N3O2S — CID 3508614

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cccc2nc(CSc3ncccc3C(=O)O)cn12
InChIInChI=1S/C15H13N3O2S/c1-10-4-2-6-13-17-11(8-18(10)13)9-21-14-12(15(19)20)5-3-7-16-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyXYZSYSBJAIWHTB-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.03
Rot. Bonds4

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 3508614) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID3508614
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cccc2nc(CSc3ncccc3C(=O)O)cn12
InChIInChI=1S/C15H13N3O2S/c1-10-4-2-6-13-17-11(8-18(10)13)9-21-14-12(15(19)20)5-3-7-16-14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyXYZSYSBJAIWHTB-UHFFFAOYSA-N
XLogP3.03
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 3508614) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is Cc1cccc2nc(CSc3ncccc3C(=O)O)cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is XYZSYSBJAIWHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-4-2-6-13-17-11(8-18(10)13)9-21-14-12(15(19)20)5-3-7-16-14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 3508614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).