1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

C10H11BrFN5 — CID 121457523

IUPAC1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1ncc(F)n2c([C@@H]3CCNC3)nc(Br)c12
InChIInChI=1S/C10H11BrFN5/c11-8-7-9(13)15-4-6(12)17(7)10(16-8)5-1-2-14-3-5/h4-5,14H,1-3H2,(H2,13,15)/t5-/m1/s1
InChIKeyKFOVFXGBOUIUCR-RXMQYKEDSA-N
MW300.14 g/mol
LogP1.29
Rot. Bonds1

About 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 121457523) has the molecular formula C10H11BrFN5 and a molecular weight of 300.14 g/mol. Its IUPAC name is 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID121457523
Molecular FormulaC10H11BrFN5
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1ncc(F)n2c([C@@H]3CCNC3)nc(Br)c12
InChIInChI=1S/C10H11BrFN5/c11-8-7-9(13)15-4-6(12)17(7)10(16-8)5-1-2-14-3-5/h4-5,14H,1-3H2,(H2,13,15)/t5-/m1/s1
InChIKeyKFOVFXGBOUIUCR-RXMQYKEDSA-N
XLogP1.29
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (CID 121457523) is 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is Nc1ncc(F)n2c([C@@H]3CCNC3)nc(Br)c12.
What is the InChIKey of 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is KFOVFXGBOUIUCR-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11BrFN5/c11-8-7-9(13)15-4-6(12)17(7)10(16-8)5-1-2-14-3-5/h4-5,14H,1-3H2,(H2,13,15)/t5-/m1/s1.
What are the key properties of 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 300.14 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 121457523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).