methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate

C14H17N3O2S — CID 63808202

IUPACmethyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccn2c1CNC1CC1
InChIInChI=1S/C14H17N3O2S/c1-19-13(18)9-20-14-11(8-15-10-5-6-10)17-7-3-2-4-12(17)16-14/h2-4,7,10,15H,5-6,8-9H2,1H3
InChIKeyDGJSFYLIFMZVPE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate

methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate (PubChem CID 63808202) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
PubChem CID63808202
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1nc2ccccn2c1CNC1CC1
InChIInChI=1S/C14H17N3O2S/c1-19-13(18)9-20-14-11(8-15-10-5-6-10)17-7-3-2-4-12(17)16-14/h2-4,7,10,15H,5-6,8-9H2,1H3
InChIKeyDGJSFYLIFMZVPE-UHFFFAOYSA-N
XLogP1.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
CID 63808201
N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 63806148
N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 63805394
methyl 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylpropanoate
CID 63835303
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclohexanamine
CID 43755994
N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 103535879
N-[[2-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 43478186
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]thian-4-amine
CID 115685594
N-butan-2-yl-3-[(cyclopropylamino)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 43478455
2-[[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-propylamino]ethanol
CID 61424587
N-[[2-(1-methylpyrazol-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 116793137
N-[(2-thiomorpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 43478365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate (CID 63808202) is methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate is COC(=O)CSc1nc2ccccn2c1CNC1CC1.
What is the InChIKey of methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
The InChIKey is DGJSFYLIFMZVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-13(18)9-20-14-11(8-15-10-5-6-10)17-7-3-2-4-12(17)16-14/h2-4,7,10,15H,5-6,8-9H2,1H3.
What are the key properties of methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate?
methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate has a molecular weight of 291.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylacetate is sourced from PubChem (CID 63808202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).