methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate

C19H17N3O4 — CID 154690969

IUPACmethyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)oc1C
InChIInChI=1S/C19H17N3O4/c1-10-18(12(3)26-21-10)15-9-20-22-6-5-13(7-16(15)22)17-8-14(11(2)25-17)19(23)24-4/h5-9H,1-4H3
InChIKeyVDLOVVHGIKTKRU-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.96
Rot. Bonds3

About methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate

methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate (PubChem CID 154690969) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate
PubChem CID154690969
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)oc1C
InChIInChI=1S/C19H17N3O4/c1-10-18(12(3)26-21-10)15-9-20-22-6-5-13(7-16(15)22)17-8-14(11(2)25-17)19(23)24-4/h5-9H,1-4H3
InChIKeyVDLOVVHGIKTKRU-UHFFFAOYSA-N
XLogP3.96
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate (CID 154690969) is methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)oc1C.
What is the InChIKey of methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate?
The InChIKey is VDLOVVHGIKTKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-10-18(12(3)26-21-10)15-9-20-22-6-5-13(7-16(15)22)17-8-14(11(2)25-17)19(23)24-4/h5-9H,1-4H3.
What are the key properties of methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate?
methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 154690969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).