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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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).