7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

C19H14FN3O — CID 22582377

IUPAC7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(Nc2ccccc2F)N1c1ccccc1
InChIInChI=1S/C19H14FN3O/c20-15-10-4-5-11-16(15)22-18-17-14(9-6-12-21-17)19(24)23(18)13-7-2-1-3-8-13/h1-12,18,22H
InChIKeyBGQNTVXGYZNTMI-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.99
Rot. Bonds3

About 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 22582377) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID22582377
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(Nc2ccccc2F)N1c1ccccc1
InChIInChI=1S/C19H14FN3O/c20-15-10-4-5-11-16(15)22-18-17-14(9-6-12-21-17)19(24)23(18)13-7-2-1-3-8-13/h1-12,18,22H
InChIKeyBGQNTVXGYZNTMI-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 22582377) is 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(Nc2ccccc2F)N1c1ccccc1.
What is the InChIKey of 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BGQNTVXGYZNTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-15-10-4-5-11-16(15)22-18-17-14(9-6-12-21-17)19(24)23(18)13-7-2-1-3-8-13/h1-12,18,22H.
What are the key properties of 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 319.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22582377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).