5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C18H21FN8O2 — CID 167844785

IUPAC5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCC2(F)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C18H21FN8O2/c1-28-13-5-21-6-14(29-10-18(19)8-22-9-18)17(13)12-2-15(27-26-12)25-16-7-23-11(3-20)4-24-16/h4-7,12,15,22,26-27H,2,8-10H2,1H3,(H,24,25)
InChIKeyMXXIZQNVKHGZEP-UHFFFAOYSA-N
MW400.42 g/mol
LogP0.42
Rot. Bonds7

About 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844785) has the molecular formula C18H21FN8O2 and a molecular weight of 400.42 g/mol. Its IUPAC name is 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844785
Molecular FormulaC18H21FN8O2
Molecular Weight400.42 g/mol
Exact Mass400.18
IUPAC Name5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCC2(F)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C18H21FN8O2/c1-28-13-5-21-6-14(29-10-18(19)8-22-9-18)17(13)12-2-15(27-26-12)25-16-7-23-11(3-20)4-24-16/h4-7,12,15,22,26-27H,2,8-10H2,1H3,(H,24,25)
InChIKeyMXXIZQNVKHGZEP-UHFFFAOYSA-N
XLogP0.42
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile 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 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844785) is 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cncc(OCC2(F)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is MXXIZQNVKHGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8O2/c1-28-13-5-21-6-14(29-10-18(19)8-22-9-18)17(13)12-2-15(27-26-12)25-16-7-23-11(3-20)4-24-16/h4-7,12,15,22,26-27H,2,8-10H2,1H3,(H,24,25).
What are the key properties of 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 400.42 g/mol, XLogP of 0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-[(3-fluoroazetidin-3-yl)methoxy]-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).