1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one

C20H16N2O4S — CID 170785167

IUPAC1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one
SMILESCn1cc(-c2cc3nccc(-c4cccc(S(C)(=O)=O)c4)c3o2)ccc1=O
InChIInChI=1S/C20H16N2O4S/c1-22-12-14(6-7-19(22)23)18-11-17-20(26-18)16(8-9-21-17)13-4-3-5-15(10-13)27(2,24)25/h3-12H,1-2H3
InChIKeyFOUANODXJZDQIL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.26
Rot. Bonds3

About 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one

1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one (PubChem CID 170785167) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one
PubChem CID170785167
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one
SMILESCn1cc(-c2cc3nccc(-c4cccc(S(C)(=O)=O)c4)c3o2)ccc1=O
InChIInChI=1S/C20H16N2O4S/c1-22-12-14(6-7-19(22)23)18-11-17-20(26-18)16(8-9-21-17)13-4-3-5-15(10-13)27(2,24)25/h3-12H,1-2H3
InChIKeyFOUANODXJZDQIL-UHFFFAOYSA-N
XLogP3.26
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one (CID 170785167) is 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one is Cn1cc(-c2cc3nccc(-c4cccc(S(C)(=O)=O)c4)c3o2)ccc1=O.
What is the InChIKey of 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one?
The InChIKey is FOUANODXJZDQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-22-12-14(6-7-19(22)23)18-11-17-20(26-18)16(8-9-21-17)13-4-3-5-15(10-13)27(2,24)25/h3-12H,1-2H3.
What are the key properties of 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one?
1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one has a molecular weight of 380.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[7-(3-methylsulfonylphenyl)furo[3,2-b]pyridin-2-yl]pyridin-2-one is sourced from PubChem (CID 170785167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).