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

C18H15F2N3O2 — CID 162653979

IUPAC(3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCOc1ccc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-25-16-5-4-13(8-14(16)20)23-15(18(24)22-9-12(19)10-22)7-11-3-2-6-21-17(11)23/h2-8,12H,9-10H2,1H3
InChIKeyPEVFNUPIGNHXQZ-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.97
Rot. Bonds3

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

(3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 162653979) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID162653979
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name(3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESCOc1ccc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-25-16-5-4-13(8-14(16)20)23-15(18(24)22-9-12(19)10-22)7-11-3-2-6-21-17(11)23/h2-8,12H,9-10H2,1H3
InChIKeyPEVFNUPIGNHXQZ-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 162653979) is (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone is COc1ccc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1F.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is PEVFNUPIGNHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-25-16-5-4-13(8-14(16)20)23-15(18(24)22-9-12(19)10-22)7-11-3-2-6-21-17(11)23/h2-8,12H,9-10H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone?
(3-fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 343.33 g/mol, XLogP of 2.97, 3 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-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 162653979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).