methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate

C15H16N2O3S — CID 107778330

IUPACmethyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C15H16N2O3S/c1-20-13(19)8-15(5-6-15)10-21-14-11(9-18)17-7-3-2-4-12(17)16-14/h2-4,7,9H,5-6,8,10H2,1H3
InChIKeyMYKZEFNBZCWUMO-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.58
Rot. Bonds6

About methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107778330) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID107778330
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C15H16N2O3S/c1-20-13(19)8-15(5-6-15)10-21-14-11(9-18)17-7-3-2-4-12(17)16-14/h2-4,7,9H,5-6,8,10H2,1H3
InChIKeyMYKZEFNBZCWUMO-UHFFFAOYSA-N
XLogP2.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778323
methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777068
methyl 2-[1-[(4-chlorophthalazin-1-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777562
2-(2-methylbutylsulfanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 107761198
methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate
CID 107777058
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803177
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907
methyl 2-[1-[(3-amino-6-carbamoyl-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778059
methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
CID 63808201
methyl 2-[1-[[2-[(1S)-1-hydroxyethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778461
methyl 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylpropanoate
CID 63835303
methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107776910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate (CID 107778330) is methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSc2nc3ccccn3c2C=O)CC1.
What is the InChIKey of methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is MYKZEFNBZCWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-13(19)8-15(5-6-15)10-21-14-11(9-18)17-7-3-2-4-12(17)16-14/h2-4,7,9H,5-6,8,10H2,1H3.
What are the key properties of methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 304.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).