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

C17H22N8O2 — CID 167844784

IUPAC5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nccc(OCCCN)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C17H22N8O2/c1-26-17-16(13(3-5-20-17)27-6-2-4-18)12-7-14(25-24-12)23-15-10-21-11(8-19)9-22-15/h3,5,9-10,12,14,24-25H,2,4,6-7,18H2,1H3,(H,22,23)
InChIKeyOMMDOKWFDYFTNA-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.46
Rot. Bonds8

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

5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844784) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844784
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nccc(OCCCN)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C17H22N8O2/c1-26-17-16(13(3-5-20-17)27-6-2-4-18)12-7-14(25-24-12)23-15-10-21-11(8-19)9-22-15/h3,5,9-10,12,14,24-25H,2,4,6-7,18H2,1H3,(H,22,23)
InChIKeyOMMDOKWFDYFTNA-UHFFFAOYSA-N
XLogP0.46
TPSA143.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844784) is 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1nccc(OCCCN)c1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is OMMDOKWFDYFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-26-17-16(13(3-5-20-17)27-6-2-4-18)12-7-14(25-24-12)23-15-10-21-11(8-19)9-22-15/h3,5,9-10,12,14,24-25H,2,4,6-7,18H2,1H3,(H,22,23).
What are the key properties of 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 370.42 g/mol, XLogP of 0.46, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(3-aminopropoxy)-2-methoxy-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).