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

C19H24N8O2 — CID 167844786

IUPAC5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nccc(OCC2(C)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C19H24N8O2/c1-19(9-21-10-19)11-29-14-3-4-22-18(28-2)17(14)13-5-15(27-26-13)25-16-8-23-12(6-20)7-24-16/h3-4,7-8,13,15,21,26-27H,5,9-11H2,1-2H3,(H,24,25)
InChIKeyBTVCFRXLVFWICJ-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.72
Rot. Bonds7

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

5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844786) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844786
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nccc(OCC2(C)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C19H24N8O2/c1-19(9-21-10-19)11-29-14-3-4-22-18(28-2)17(14)13-5-15(27-26-13)25-16-8-23-12(6-20)7-24-16/h3-4,7-8,13,15,21,26-27H,5,9-11H2,1-2H3,(H,24,25)
InChIKeyBTVCFRXLVFWICJ-UHFFFAOYSA-N
XLogP0.72
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844786) is 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1nccc(OCC2(C)CNC2)c1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is BTVCFRXLVFWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-19(9-21-10-19)11-29-14-3-4-22-18(28-2)17(14)13-5-15(27-26-13)25-16-8-23-12(6-20)7-24-16/h3-4,7-8,13,15,21,26-27H,5,9-11H2,1-2H3,(H,24,25).
What are the key properties of 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 396.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).