5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C17H21FN8O2 — CID 167844804

IUPAC5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CC(c3c(OCF)cncc3OCCCN)NN2)cn1
InChIInChI=1S/C17H21FN8O2/c18-10-28-14-8-21-7-13(27-3-1-2-19)17(14)12-4-15(26-25-12)24-16-9-22-11(5-20)6-23-16/h6-9,12,15,25-26H,1-4,10,19H2,(H,23,24)
InChIKeyYARGNCGKQAIYRH-UHFFFAOYSA-N
MW388.41 g/mol
LogP0.75
Rot. Bonds9

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

5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844804) has the molecular formula C17H21FN8O2 and a molecular weight of 388.41 g/mol. Its IUPAC name is 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844804
Molecular FormulaC17H21FN8O2
Molecular Weight388.41 g/mol
Exact Mass388.18
IUPAC Name5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CC(c3c(OCF)cncc3OCCCN)NN2)cn1
InChIInChI=1S/C17H21FN8O2/c18-10-28-14-8-21-7-13(27-3-1-2-19)17(14)12-4-15(26-25-12)24-16-9-22-11(5-20)6-23-16/h6-9,12,15,25-26H,1-4,10,19H2,(H,23,24)
InChIKeyYARGNCGKQAIYRH-UHFFFAOYSA-N
XLogP0.75
TPSA143.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-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-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844804) is 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(NC2CC(c3c(OCF)cncc3OCCCN)NN2)cn1.
What is the InChIKey of 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is YARGNCGKQAIYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN8O2/c18-10-28-14-8-21-7-13(27-3-1-2-19)17(14)12-4-15(26-25-12)24-16-9-22-11(5-20)6-23-16/h6-9,12,15,25-26H,1-4,10,19H2,(H,23,24).
What are the key properties of 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 388.41 g/mol, XLogP of 0.75, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-(3-aminopropoxy)-5-(fluoromethoxy)-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).