5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C19H13F4N5O3 — CID 142412727

IUPAC5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2n1CCc1ncccn1
InChIInChI=1S/C19H13F4N5O3/c20-12-8-11(9-26-17(12)30-10-19(21,22)23)13-2-3-14-16(27-13)28(18(29)31-14)7-4-15-24-5-1-6-25-15/h1-3,5-6,8-9H,4,7,10H2
InChIKeyVVFIKLDCQDEKSW-UHFFFAOYSA-N
MW435.34 g/mol
LogP3.16
Rot. Bonds6

About 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 142412727) has the molecular formula C19H13F4N5O3 and a molecular weight of 435.34 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID142412727
Molecular FormulaC19H13F4N5O3
Molecular Weight435.34 g/mol
Exact Mass435.10
IUPAC Name5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2n1CCc1ncccn1
InChIInChI=1S/C19H13F4N5O3/c20-12-8-11(9-26-17(12)30-10-19(21,22)23)13-2-3-14-16(27-13)28(18(29)31-14)7-4-15-24-5-1-6-25-15/h1-3,5-6,8-9H,4,7,10H2
InChIKeyVVFIKLDCQDEKSW-UHFFFAOYSA-N
XLogP3.16
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 142412727) is 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2n1CCc1ncccn1.
What is the InChIKey of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VVFIKLDCQDEKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5O3/c20-12-8-11(9-26-17(12)30-10-19(21,22)23)13-2-3-14-16(27-13)28(18(29)31-14)7-4-15-24-5-1-6-25-15/h1-3,5-6,8-9H,4,7,10H2.
What are the key properties of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 435.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142412727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).