1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one

C24H19F2N3O3 — CID 58065925

IUPAC1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one
SMILESCCCC(=O)COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F
InChIInChI=1S/C24H19F2N3O3/c1-2-4-16(30)13-32-20-7-6-19(25)21(22(20)26)23(31)18-12-29-24-17(18)9-15(11-28-24)14-5-3-8-27-10-14/h3,5-12H,2,4,13H2,1H3,(H,28,29)
InChIKeyJZNUZBTYFCIAER-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.88
Rot. Bonds8

About 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one

1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one (PubChem CID 58065925) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one.

Molecular Properties

Compound Name1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one
PubChem CID58065925
Molecular FormulaC24H19F2N3O3
Molecular Weight435.43 g/mol
Exact Mass435.14
IUPAC Name1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one
SMILESCCCC(=O)COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F
InChIInChI=1S/C24H19F2N3O3/c1-2-4-16(30)13-32-20-7-6-19(25)21(22(20)26)23(31)18-12-29-24-17(18)9-15(11-28-24)14-5-3-8-27-10-14/h3,5-12H,2,4,13H2,1H3,(H,28,29)
InChIKeyJZNUZBTYFCIAER-UHFFFAOYSA-N
XLogP4.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-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 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one?
The IUPAC name of 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one (CID 58065925) is 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one.
What is the SMILES notation for 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one?
The canonical SMILES for 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one is CCCC(=O)COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.
What is the InChIKey of 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one?
The InChIKey is JZNUZBTYFCIAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c1-2-4-16(30)13-32-20-7-6-19(25)21(22(20)26)23(31)18-12-29-24-17(18)9-15(11-28-24)14-5-3-8-27-10-14/h3,5-12H,2,4,13H2,1H3,(H,28,29).
What are the key properties of 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one?
1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one has a molecular weight of 435.43 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]pentan-2-one is sourced from PubChem (CID 58065925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).