4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine

C9H9FIN5 — CID 71114419

IUPAC4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1nc(I)c2c(N3CC(F)C3)ncnc21
InChIInChI=1S/C9H9FIN5/c1-15-8-6(7(11)14-15)9(13-4-12-8)16-2-5(10)3-16/h4-5H,2-3H2,1H3
InChIKeyGHWWIXKDMFFKBL-UHFFFAOYSA-N
MW333.11 g/mol
LogP1.13
Rot. Bonds1

About 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine

4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 71114419) has the molecular formula C9H9FIN5 and a molecular weight of 333.11 g/mol. Its IUPAC name is 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID71114419
Molecular FormulaC9H9FIN5
Molecular Weight333.11 g/mol
Exact Mass332.99
IUPAC Name4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1nc(I)c2c(N3CC(F)C3)ncnc21
InChIInChI=1S/C9H9FIN5/c1-15-8-6(7(11)14-15)9(13-4-12-8)16-2-5(10)3-16/h4-5H,2-3H2,1H3
InChIKeyGHWWIXKDMFFKBL-UHFFFAOYSA-N
XLogP1.13
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine 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-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine (CID 71114419) is 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine is Cn1nc(I)c2c(N3CC(F)C3)ncnc21.
What is the InChIKey of 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GHWWIXKDMFFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FIN5/c1-15-8-6(7(11)14-15)9(13-4-12-8)16-2-5(10)3-16/h4-5H,2-3H2,1H3.
What are the key properties of 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine?
4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 333.11 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidin-1-yl)-3-iodo-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71114419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).