(3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone

C16H12F2N4O — CID 147358769

IUPAC(3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1cc2cccnc2n1-c1ccnc(F)c1)N1CC(F)C1
InChIInChI=1S/C16H12F2N4O/c17-11-8-21(9-11)16(23)13-6-10-2-1-4-20-15(10)22(13)12-3-5-19-14(18)7-12/h1-7,11H,8-9H2
InChIKeyDGVDBEGSUSZBRM-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.35
Rot. Bonds2

About (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone

(3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 147358769) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID147358769
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1cc2cccnc2n1-c1ccnc(F)c1)N1CC(F)C1
InChIInChI=1S/C16H12F2N4O/c17-11-8-21(9-11)16(23)13-6-10-2-1-4-20-15(10)22(13)12-3-5-19-14(18)7-12/h1-7,11H,8-9H2
InChIKeyDGVDBEGSUSZBRM-UHFFFAOYSA-N
XLogP2.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 147358769) is (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone is O=C(c1cc2cccnc2n1-c1ccnc(F)c1)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is DGVDBEGSUSZBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-11-8-21(9-11)16(23)13-6-10-2-1-4-20-15(10)22(13)12-3-5-19-14(18)7-12/h1-7,11H,8-9H2.
What are the key properties of (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
(3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 314.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[1-(2-fluoro-4-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 147358769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).