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

C10H8F2IN3 — CID 87202913

IUPAC1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine
SMILESFC1(F)CC(c2nc(I)n3ccncc23)C1
InChIInChI=1S/C10H8F2IN3/c11-10(12)3-6(4-10)8-7-5-14-1-2-16(7)9(13)15-8/h1-2,5-6H,3-4H2
InChIKeyAPZVKUFBIXGABB-UHFFFAOYSA-N
MW335.10 g/mol
LogP2.85
Rot. Bonds1

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

1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine (PubChem CID 87202913) has the molecular formula C10H8F2IN3 and a molecular weight of 335.10 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine
PubChem CID87202913
Molecular FormulaC10H8F2IN3
Molecular Weight335.10 g/mol
Exact Mass334.97
IUPAC Name1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine
SMILESFC1(F)CC(c2nc(I)n3ccncc23)C1
InChIInChI=1S/C10H8F2IN3/c11-10(12)3-6(4-10)8-7-5-14-1-2-16(7)9(13)15-8/h1-2,5-6H,3-4H2
InChIKeyAPZVKUFBIXGABB-UHFFFAOYSA-N
XLogP2.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Isopropyl-4-[5-(trifluoromethyl)imidazo[1,2-A]pyrimidin-7-YL]piperidine
CID 95826739
5-(1-Propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 110258503
2-{3-[7-(Trifluoromethyl)imidazo[1,2-A]pyrimidin-5-YL]piperidin-1-YL}pyrimidine
CID 110258989
7-(1-Methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 118740384
5,7-Di(propan-2-yl)imidazo[1,2-a]pyrimidine
CID 168339361
5-Piperidin-4-yl-7-trifluoromethyl-imidazo[1,2-a]-pyrimidine
CID 46737155
7-Tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 57813875
3-[4-(3,3-Difluoroazetidin-1-yl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazine
CID 67365298
7-(1-Fluoro-1-methylethyl)imidazo[1,2-alpha]pyrimidine
CID 69559641
7-(1-Fluoro-1-methylethyl)-3-tributylstannylimidazo[1,2-alpha]pyrimidine
CID 69560153
3-Bromo-7-(1-fluoro-1-methylethyl)imidazo[1,2-alpha]pyrimidine
CID 69560554
7-(1,1-Difluoroethyl)imidazo[1,2-alpha]pyrimidine
CID 69708272

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine (CID 87202913) is 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine is FC1(F)CC(c2nc(I)n3ccncc23)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine?
The InChIKey is APZVKUFBIXGABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2IN3/c11-10(12)3-6(4-10)8-7-5-14-1-2-16(7)9(13)15-8/h1-2,5-6H,3-4H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine?
1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine has a molecular weight of 335.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-iodoimidazo[1,5-a]pyrazine is sourced from PubChem (CID 87202913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).