6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C18H15FN4O2 — CID 137472332

IUPAC6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2ccccc2)C3)o1
InChIInChI=1S/C18H15FN4O2/c1-11(19)16-21-22-17(25-16)13-7-14-15(20-8-13)10-23(18(14)24)9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyMALLQMVIJIHFNC-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.32
Rot. Bonds4

About 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 137472332) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID137472332
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2ccccc2)C3)o1
InChIInChI=1S/C18H15FN4O2/c1-11(19)16-21-22-17(25-16)13-7-14-15(20-8-13)10-23(18(14)24)9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyMALLQMVIJIHFNC-UHFFFAOYSA-N
XLogP3.32
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 137472332) is 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2ccccc2)C3)o1.
What is the InChIKey of 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MALLQMVIJIHFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11(19)16-21-22-17(25-16)13-7-14-15(20-8-13)10-23(18(14)24)9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 338.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 137472332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).