1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one

C18H18FN3O — CID 147916636

IUPAC1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3ccccc3)cc2N1CCN1CC(F)C1
InChIInChI=1S/C18H18FN3O/c19-15-11-21(12-15)6-7-22-17-8-14(13-4-2-1-3-5-13)10-20-16(17)9-18(22)23/h1-5,8,10,15H,6-7,9,11-12H2
InChIKeyIHEUPBXABWCONK-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one

1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 147916636) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID147916636
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(-c3ccccc3)cc2N1CCN1CC(F)C1
InChIInChI=1S/C18H18FN3O/c19-15-11-21(12-15)6-7-22-17-8-14(13-4-2-1-3-5-13)10-20-16(17)9-18(22)23/h1-5,8,10,15H,6-7,9,11-12H2
InChIKeyIHEUPBXABWCONK-UHFFFAOYSA-N
XLogP2.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 147916636) is 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one is O=C1Cc2ncc(-c3ccccc3)cc2N1CCN1CC(F)C1.
What is the InChIKey of 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is IHEUPBXABWCONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-11-21(12-15)6-7-22-17-8-14(13-4-2-1-3-5-13)10-20-16(17)9-18(22)23/h1-5,8,10,15H,6-7,9,11-12H2.
What are the key properties of 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one?
1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 311.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroazetidin-1-yl)ethyl]-6-phenyl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 147916636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).