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

C17H11F3N4O2 — CID 138597649

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cc(-c3nnc(C(F)F)o3)cnc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C17H11F3N4O2/c18-11-3-1-9(2-4-11)7-24-8-13-12(17(24)25)5-10(6-21-13)15-22-23-16(26-15)14(19)20/h1-6,14H,7-8H2
InChIKeyGDMJJACEPZDVFC-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.36
Rot. Bonds4

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

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 138597649) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID138597649
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cc(-c3nnc(C(F)F)o3)cnc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C17H11F3N4O2/c18-11-3-1-9(2-4-11)7-24-8-13-12(17(24)25)5-10(6-21-13)15-22-23-16(26-15)14(19)20/h1-6,14H,7-8H2
InChIKeyGDMJJACEPZDVFC-UHFFFAOYSA-N
XLogP3.36
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl-methylamino]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162511036
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[2-(4-fluorophenyl)piperidin-1-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138625992
4-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 138598373
N-[(1R,2R)-2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 138598029
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7-(3,4-difluorophenyl)-6,8-dihydropyrido[2,3-d]pyridazin-5-one
CID 162511012
6-[(1R,2R)-2-aminocyclohexyl]-3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138598228
2-[(1R,2R)-2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]isoindole-1,3-dione
CID 138625958
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methyl-methylamino]-3H-isoindol-1-one
CID 162511018
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(3R,4R)-4-(3-fluorophenoxy)oxan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138625836
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(3R,4R)-4-(2,3-difluorophenoxy)oxan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138598435
2-(difluoromethyl)-5-[3-fluoro-5-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162510988
2-(2-bromo-4-fluorophenyl)-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138597777

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 138597649) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cc(-c3nnc(C(F)F)o3)cnc2CN1Cc1ccc(F)cc1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GDMJJACEPZDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-11-3-1-9(2-4-11)7-24-8-13-12(17(24)25)5-10(6-21-13)15-22-23-16(26-15)14(19)20/h1-6,14H,7-8H2.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 360.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 138597649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).