4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one

C18H18N2O5S — CID 118021483

IUPAC4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one
SMILESCn1cc(-c2nc(S(C)(=O)=O)ccc2OCC2CC2)c2ccoc2c1=O
InChIInChI=1S/C18H18N2O5S/c1-20-9-13(12-7-8-24-17(12)18(20)21)16-14(25-10-11-3-4-11)5-6-15(19-16)26(2,22)23/h5-9,11H,3-4,10H2,1-2H3
InChIKeyCLGUHMHRYIAAAN-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.39
Rot. Bonds5

About 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one

4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one (PubChem CID 118021483) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one
PubChem CID118021483
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one
SMILESCn1cc(-c2nc(S(C)(=O)=O)ccc2OCC2CC2)c2ccoc2c1=O
InChIInChI=1S/C18H18N2O5S/c1-20-9-13(12-7-8-24-17(12)18(20)21)16-14(25-10-11-3-4-11)5-6-15(19-16)26(2,22)23/h5-9,11H,3-4,10H2,1-2H3
InChIKeyCLGUHMHRYIAAAN-UHFFFAOYSA-N
XLogP2.39
TPSA91.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one (CID 118021483) is 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one is Cn1cc(-c2nc(S(C)(=O)=O)ccc2OCC2CC2)c2ccoc2c1=O.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one?
The InChIKey is CLGUHMHRYIAAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20-9-13(12-7-8-24-17(12)18(20)21)16-14(25-10-11-3-4-11)5-6-15(19-16)26(2,22)23/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one?
4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one has a molecular weight of 374.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]-6-methylfuro[2,3-c]pyridin-7-one is sourced from PubChem (CID 118021483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).