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

C17H14FN5O2 — CID 137472352

IUPAC3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2ccncc2)C3)o1
InChIInChI=1S/C17H14FN5O2/c1-10(18)15-21-22-16(25-15)12-6-13-14(20-7-12)9-23(17(13)24)8-11-2-4-19-5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyKRRVRMXWSNQOPZ-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.71
Rot. Bonds4

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

3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 137472352) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID137472352
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2ccncc2)C3)o1
InChIInChI=1S/C17H14FN5O2/c1-10(18)15-21-22-16(25-15)12-6-13-14(20-7-12)9-23(17(13)24)8-11-2-4-19-5-3-11/h2-7,10H,8-9H2,1H3
InChIKeyKRRVRMXWSNQOPZ-UHFFFAOYSA-N
XLogP2.71
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 137472352) is 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is CC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2ccncc2)C3)o1.
What is the InChIKey of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KRRVRMXWSNQOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-10(18)15-21-22-16(25-15)12-6-13-14(20-7-12)9-23(17(13)24)8-11-2-4-19-5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 339.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-(pyridin-4-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 137472352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).