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

C19H16F2N4O2 — CID 137472336

IUPAC3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N([C@H](C)c2ccc(F)cc2)C3)o1
InChIInChI=1S/C19H16F2N4O2/c1-10(20)17-23-24-18(27-17)13-7-15-16(22-8-13)9-25(19(15)26)11(2)12-3-5-14(21)6-4-12/h3-8,10-11H,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyLYMKALFUUPUOIQ-RRKGBCIJSA-N
MW370.36 g/mol
LogP4.02
Rot. Bonds4

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

3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 137472336) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID137472336
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N([C@H](C)c2ccc(F)cc2)C3)o1
InChIInChI=1S/C19H16F2N4O2/c1-10(20)17-23-24-18(27-17)13-7-15-16(22-8-13)9-25(19(15)26)11(2)12-3-5-14(21)6-4-12/h3-8,10-11H,9H2,1-2H3/t10?,11-/m1/s1
InChIKeyLYMKALFUUPUOIQ-RRKGBCIJSA-N
XLogP4.02
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 137472336) is 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-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-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC(F)c1nnc(-c2cnc3c(c2)C(=O)N([C@H](C)c2ccc(F)cc2)C3)o1.
What is the InChIKey of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LYMKALFUUPUOIQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-10(20)17-23-24-18(27-17)13-7-15-16(22-8-13)9-25(19(15)26)11(2)12-3-5-14(21)6-4-12/h3-8,10-11H,9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 370.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 137472336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).