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

C17H22N8O2 — CID 167844783

IUPAC5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCCCN)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C17H22N8O2/c1-26-13-8-20-9-14(27-4-2-3-18)17(13)12-5-15(25-24-12)23-16-10-21-11(6-19)7-22-16/h7-10,12,15,24-25H,2-5,18H2,1H3,(H,22,23)
InChIKeyMZHDRINNHCLTIO-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.46
Rot. Bonds8

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

5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167844783) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID167844783
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cncc(OCCCN)c1C1CC(Nc2cnc(C#N)cn2)NN1
InChIInChI=1S/C17H22N8O2/c1-26-13-8-20-9-14(27-4-2-3-18)17(13)12-5-15(25-24-12)23-16-10-21-11(6-19)7-22-16/h7-10,12,15,24-25H,2-5,18H2,1H3,(H,22,23)
InChIKeyMZHDRINNHCLTIO-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-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 167844783) is 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cncc(OCCCN)c1C1CC(Nc2cnc(C#N)cn2)NN1.
What is the InChIKey of 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is MZHDRINNHCLTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-26-13-8-20-9-14(27-4-2-3-18)17(13)12-5-15(25-24-12)23-16-10-21-11(6-19)7-22-16/h7-10,12,15,24-25H,2-5,18H2,1H3,(H,22,23).
What are the key properties of 5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-(3-aminopropoxy)-5-methoxy-4-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-[3-(3-aminopropoxy)-5-methoxy-4-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167844783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).