8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine

C10H7ClF2IN3 — CID 86636022

IUPAC8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine
SMILESFC1(F)CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C10H7ClF2IN3/c11-7-6-8(14)16-9(17(6)2-1-15-7)5-3-10(12,13)4-5/h1-2,5H,3-4H2
InChIKeySTQAONKVXJMEJJ-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.50
Rot. Bonds1

About 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine

8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine (PubChem CID 86636022) has the molecular formula C10H7ClF2IN3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine
PubChem CID86636022
Molecular FormulaC10H7ClF2IN3
Molecular Weight369.54 g/mol
Exact Mass368.93
IUPAC Name8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine
SMILESFC1(F)CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C10H7ClF2IN3/c11-7-6-8(14)16-9(17(6)2-1-15-7)5-3-10(12,13)4-5/h1-2,5H,3-4H2
InChIKeySTQAONKVXJMEJJ-UHFFFAOYSA-N
XLogP3.50
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine (CID 86636022) is 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine is FC1(F)CC(c2nc(I)c3c(Cl)nccn23)C1.
What is the InChIKey of 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine?
The InChIKey is STQAONKVXJMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2IN3/c11-7-6-8(14)16-9(17(6)2-1-15-7)5-3-10(12,13)4-5/h1-2,5H,3-4H2.
What are the key properties of 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine?
8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine has a molecular weight of 369.54 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazine is sourced from PubChem (CID 86636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).