3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine

C18H18FN5 — CID 67574246

IUPAC3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(C3Cc4cc(F)ccc4N3)c12
InChIInChI=1S/C18H18FN5/c19-12-4-5-13-11(8-12)9-14(22-13)15-16-17(20)21-6-7-24(16)18(23-15)10-2-1-3-10/h4-8,10,14,22H,1-3,9H2,(H2,20,21)
InChIKeyZEYMZONMFUCTAS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.43
Rot. Bonds2

About 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 67574246) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID67574246
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(C3Cc4cc(F)ccc4N3)c12
InChIInChI=1S/C18H18FN5/c19-12-4-5-13-11(8-12)9-14(22-13)15-16-17(20)21-6-7-24(16)18(23-15)10-2-1-3-10/h4-8,10,14,22H,1-3,9H2,(H2,20,21)
InChIKeyZEYMZONMFUCTAS-UHFFFAOYSA-N
XLogP3.43
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 67574246) is 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(C3Cc4cc(F)ccc4N3)c12.
What is the InChIKey of 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ZEYMZONMFUCTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-12-4-5-13-11(8-12)9-14(22-13)15-16-17(20)21-6-7-24(16)18(23-15)10-2-1-3-10/h4-8,10,14,22H,1-3,9H2,(H2,20,21).
What are the key properties of 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 323.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(5-fluoro-2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 67574246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).