3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine

C13H13IN4 — CID 59321129

IUPAC3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine
SMILESCc1c(-c2ccn3c(I)cnc3c2)nn(C)c1C
InChIInChI=1S/C13H13IN4/c1-8-9(2)17(3)16-13(8)10-4-5-18-11(14)7-15-12(18)6-10/h4-7H,1-3H3
InChIKeySNAVSMMQKFECKZ-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.96
Rot. Bonds1

About 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine

3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine (PubChem CID 59321129) has the molecular formula C13H13IN4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine
PubChem CID59321129
Molecular FormulaC13H13IN4
Molecular Weight352.18 g/mol
Exact Mass352.02
IUPAC Name3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine
SMILESCc1c(-c2ccn3c(I)cnc3c2)nn(C)c1C
InChIInChI=1S/C13H13IN4/c1-8-9(2)17(3)16-13(8)10-4-5-18-11(14)7-15-12(18)6-10/h4-7H,1-3H3
InChIKeySNAVSMMQKFECKZ-UHFFFAOYSA-N
XLogP2.96
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine 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 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine (CID 59321129) is 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine is Cc1c(-c2ccn3c(I)cnc3c2)nn(C)c1C.
What is the InChIKey of 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine?
The InChIKey is SNAVSMMQKFECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4/c1-8-9(2)17(3)16-13(8)10-4-5-18-11(14)7-15-12(18)6-10/h4-7H,1-3H3.
What are the key properties of 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine?
3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine has a molecular weight of 352.18 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 59321129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).