7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one

C19H19NO5S — CID 118022339

IUPAC7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2occc2c1=O
InChIInChI=1S/C19H19NO5S/c1-20-10-16(18-14(19(20)21)7-8-24-18)15-9-13(26(2,22)23)5-6-17(15)25-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
InChIKeySNZIVSGUCCWHLX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.99
Rot. Bonds5

About 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one

7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one (PubChem CID 118022339) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
PubChem CID118022339
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2occc2c1=O
InChIInChI=1S/C19H19NO5S/c1-20-10-16(18-14(19(20)21)7-8-24-18)15-9-13(26(2,22)23)5-6-17(15)25-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
InChIKeySNZIVSGUCCWHLX-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one (CID 118022339) is 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2occc2c1=O.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is SNZIVSGUCCWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-20-10-16(18-14(19(20)21)7-8-24-18)15-9-13(26(2,22)23)5-6-17(15)25-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one?
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 373.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 118022339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).