1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one

C20H18FN3O2 — CID 58778656

IUPAC1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1
InChIInChI=1S/C20H18FN3O2/c1-11(2)17(25)6-12-7-18-19(22-9-12)23-20(26-18)15-10-24(3)16-8-13(21)4-5-14(15)16/h4-5,7-11H,6H2,1-3H3
InChIKeyVCCHEKNXURJXKQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one

1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one (PubChem CID 58778656) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one
PubChem CID58778656
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1
InChIInChI=1S/C20H18FN3O2/c1-11(2)17(25)6-12-7-18-19(22-9-12)23-20(26-18)15-10-24(3)16-8-13(21)4-5-14(15)16/h4-5,7-11H,6H2,1-3H3
InChIKeyVCCHEKNXURJXKQ-UHFFFAOYSA-N
XLogP4.29
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one (CID 58778656) is 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one is CC(C)C(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1.
What is the InChIKey of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one?
The InChIKey is VCCHEKNXURJXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11(2)17(25)6-12-7-18-19(22-9-12)23-20(26-18)15-10-24(3)16-8-13(21)4-5-14(15)16/h4-5,7-11H,6H2,1-3H3.
What are the key properties of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one?
1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one has a molecular weight of 351.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3-methylbutan-2-one is sourced from PubChem (CID 58778656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).