2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone

C18H13ClF4N4O2 — CID 155411007

IUPAC2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
SMILESO=C(Cn1nc(F)c2ncc(-c3ccc(Cl)c(OC(F)F)c3)cc21)N1CC(F)C1
InChIInChI=1S/C18H13ClF4N4O2/c19-12-2-1-9(4-14(12)29-18(22)23)10-3-13-16(24-5-10)17(21)25-27(13)8-15(28)26-6-11(20)7-26/h1-5,11,18H,6-8H2
InChIKeyZGGZGAGUOGOFMC-UHFFFAOYSA-N
MW428.77 g/mol
LogP3.67
Rot. Bonds5

About 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone

2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone (PubChem CID 155411007) has the molecular formula C18H13ClF4N4O2 and a molecular weight of 428.77 g/mol. Its IUPAC name is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
PubChem CID155411007
Molecular FormulaC18H13ClF4N4O2
Molecular Weight428.77 g/mol
Exact Mass428.07
IUPAC Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
SMILESO=C(Cn1nc(F)c2ncc(-c3ccc(Cl)c(OC(F)F)c3)cc21)N1CC(F)C1
InChIInChI=1S/C18H13ClF4N4O2/c19-12-2-1-9(4-14(12)29-18(22)23)10-3-13-16(24-5-10)17(21)25-27(13)8-15(28)26-6-11(20)7-26/h1-5,11,18H,6-8H2
InChIKeyZGGZGAGUOGOFMC-UHFFFAOYSA-N
XLogP3.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
The IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone (CID 155411007) is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
The canonical SMILES for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone is O=C(Cn1nc(F)c2ncc(-c3ccc(Cl)c(OC(F)F)c3)cc21)N1CC(F)C1.
What is the InChIKey of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
The InChIKey is ZGGZGAGUOGOFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF4N4O2/c19-12-2-1-9(4-14(12)29-18(22)23)10-3-13-16(24-5-10)17(21)25-27(13)8-15(28)26-6-11(20)7-26/h1-5,11,18H,6-8H2.
What are the key properties of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone has a molecular weight of 428.77 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoropyrazolo[4,3-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 155411007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).