3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C22H18N4O4S — CID 122601757

IUPAC3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2c1Cn1c(=O)oc2cccnc21
InChIInChI=1S/C22H18N4O4S/c1-14-18(13-26-21-19(30-22(26)27)4-3-11-23-21)25-12-16(7-10-20(25)24-14)15-5-8-17(9-6-15)31(2,28)29/h3-12H,13H2,1-2H3
InChIKeyHFONIRBCJBGXIU-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.06
Rot. Bonds4

About 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 122601757) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID122601757
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC Name3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2c1Cn1c(=O)oc2cccnc21
InChIInChI=1S/C22H18N4O4S/c1-14-18(13-26-21-19(30-22(26)27)4-3-11-23-21)25-12-16(7-10-20(25)24-14)15-5-8-17(9-6-15)31(2,28)29/h3-12H,13H2,1-2H3
InChIKeyHFONIRBCJBGXIU-UHFFFAOYSA-N
XLogP3.06
TPSA99.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 122601757) is 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1nc2ccc(-c3ccc(S(C)(=O)=O)cc3)cn2c1Cn1c(=O)oc2cccnc21.
What is the InChIKey of 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is HFONIRBCJBGXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-14-18(13-26-21-19(30-22(26)27)4-3-11-23-21)25-12-16(7-10-20(25)24-14)15-5-8-17(9-6-15)31(2,28)29/h3-12H,13H2,1-2H3.
What are the key properties of 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 434.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 122601757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).