2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H15N3O2S — CID 114116516

IUPAC2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCSC1(CNc2nc3ccccn3c2C(=O)O)CC1
InChIInChI=1S/C13H15N3O2S/c1-19-13(5-6-13)8-14-11-10(12(17)18)16-7-3-2-4-9(16)15-11/h2-4,7,14H,5-6,8H2,1H3,(H,17,18)
InChIKeyCMWVJKDEURHCAT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.34
Rot. Bonds5

About 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 114116516) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID114116516
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCSC1(CNc2nc3ccccn3c2C(=O)O)CC1
InChIInChI=1S/C13H15N3O2S/c1-19-13(5-6-13)8-14-11-10(12(17)18)16-7-3-2-4-9(16)15-11/h2-4,7,14H,5-6,8H2,1H3,(H,17,18)
InChIKeyCMWVJKDEURHCAT-UHFFFAOYSA-N
XLogP2.34
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 114116516) is 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is CSC1(CNc2nc3ccccn3c2C(=O)O)CC1.
What is the InChIKey of 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is CMWVJKDEURHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19-13(5-6-13)8-14-11-10(12(17)18)16-7-3-2-4-9(16)15-11/h2-4,7,14H,5-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 114116516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).