4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine

C13H17IN4O2 — CID 129051499

IUPAC4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine
SMILESIc1cnn2c(OCCCN3CCOCC3)ccnc12
InChIInChI=1S/C13H17IN4O2/c14-11-10-16-18-12(2-3-15-13(11)18)20-7-1-4-17-5-8-19-9-6-17/h2-3,10H,1,4-9H2
InChIKeyXCGRDNVIMOOHKG-UHFFFAOYSA-N
MW388.21 g/mol
LogP1.43
Rot. Bonds5

About 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine

4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine (PubChem CID 129051499) has the molecular formula C13H17IN4O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine
PubChem CID129051499
Molecular FormulaC13H17IN4O2
Molecular Weight388.21 g/mol
Exact Mass388.04
IUPAC Name4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine
SMILESIc1cnn2c(OCCCN3CCOCC3)ccnc12
InChIInChI=1S/C13H17IN4O2/c14-11-10-16-18-12(2-3-15-13(11)18)20-7-1-4-17-5-8-19-9-6-17/h2-3,10H,1,4-9H2
InChIKeyXCGRDNVIMOOHKG-UHFFFAOYSA-N
XLogP1.43
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine 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 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine?
The IUPAC name of 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine (CID 129051499) is 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine.
What is the SMILES notation for 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine?
The canonical SMILES for 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine is Ic1cnn2c(OCCCN3CCOCC3)ccnc12.
What is the InChIKey of 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine?
The InChIKey is XCGRDNVIMOOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4O2/c14-11-10-16-18-12(2-3-15-13(11)18)20-7-1-4-17-5-8-19-9-6-17/h2-3,10H,1,4-9H2.
What are the key properties of 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine?
4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine has a molecular weight of 388.21 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-iodopyrazolo[1,5-a]pyrimidin-7-yl)oxypropyl]morpholine is sourced from PubChem (CID 129051499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).