7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one

C20H23NO5S — CID 123828294

IUPAC7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCCS(O)(O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3ccoc23)c1
InChIInChI=1S/C20H23NO5S/c1-3-27(23,24)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-21(2)20(22)15-8-9-25-19(15)17/h6-11,13,23-24H,3-5,12H2,1-2H3
InChIKeySLTJQUOAFLMIRL-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.72
Rot. Bonds6

About 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one

7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one (PubChem CID 123828294) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one
PubChem CID123828294
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCCS(O)(O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3ccoc23)c1
InChIInChI=1S/C20H23NO5S/c1-3-27(23,24)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-21(2)20(22)15-8-9-25-19(15)17/h6-11,13,23-24H,3-5,12H2,1-2H3
InChIKeySLTJQUOAFLMIRL-UHFFFAOYSA-N
XLogP4.72
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one (CID 123828294) is 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one is CCS(O)(O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3ccoc23)c1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is SLTJQUOAFLMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-3-27(23,24)14-6-7-18(26-12-13-4-5-13)16(10-14)17-11-21(2)20(22)15-8-9-25-19(15)17/h6-11,13,23-24H,3-5,12H2,1-2H3.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one?
7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 389.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-5-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 123828294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).