3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

C25H28N4O5S — CID 166172158

IUPAC3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4ccccc4C)cnc32)ccc1OC
InChIInChI=1S/C25H28N4O5S/c1-6-34-24-21(33-4)12-11-19(27-24)20(14-35(5,31)32)29-23-22(28-25(29)30)16(3)18(13-26-23)17-10-8-7-9-15(17)2/h7-13,20H,6,14H2,1-5H3,(H,28,30)/t20-/m0/s1
InChIKeyRFOJAXGOOPCAFO-FQEVSTJZSA-N
MW496.59 g/mol
LogP3.44
Rot. Bonds8

About 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 166172158) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID166172158
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1nc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4ccccc4C)cnc32)ccc1OC
InChIInChI=1S/C25H28N4O5S/c1-6-34-24-21(33-4)12-11-19(27-24)20(14-35(5,31)32)29-23-22(28-25(29)30)16(3)18(13-26-23)17-10-8-7-9-15(17)2/h7-13,20H,6,14H2,1-5H3,(H,28,30)/t20-/m0/s1
InChIKeyRFOJAXGOOPCAFO-FQEVSTJZSA-N
XLogP3.44
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 166172158) is 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1nc([C@H](CS(C)(=O)=O)n2c(=O)[nH]c3c(C)c(-c4ccccc4C)cnc32)ccc1OC.
What is the InChIKey of 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is RFOJAXGOOPCAFO-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-6-34-24-21(33-4)12-11-19(27-24)20(14-35(5,31)32)29-23-22(28-25(29)30)16(3)18(13-26-23)17-10-8-7-9-15(17)2/h7-13,20H,6,14H2,1-5H3,(H,28,30)/t20-/m0/s1.
What are the key properties of 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 496.59 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 166172158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).