4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid

C15H19BrN4O2 — CID 121457470

IUPAC4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C)(c2nc(Br)c3c(N)nccn23)CC1
InChIInChI=1S/C15H19BrN4O2/c1-14(3-5-15(2,6-4-14)13(21)22)12-19-10(16)9-11(17)18-7-8-20(9)12/h7-8H,3-6H2,1-2H3,(H2,17,18)(H,21,22)
InChIKeyCPFBSTLMPAPQNL-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.00
Rot. Bonds2

About 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid

4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid (PubChem CID 121457470) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid
PubChem CID121457470
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C)(c2nc(Br)c3c(N)nccn23)CC1
InChIInChI=1S/C15H19BrN4O2/c1-14(3-5-15(2,6-4-14)13(21)22)12-19-10(16)9-11(17)18-7-8-20(9)12/h7-8H,3-6H2,1-2H3,(H2,17,18)(H,21,22)
InChIKeyCPFBSTLMPAPQNL-UHFFFAOYSA-N
XLogP3.00
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid (CID 121457470) is 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCC(C)(c2nc(Br)c3c(N)nccn23)CC1.
What is the InChIKey of 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is CPFBSTLMPAPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-14(3-5-15(2,6-4-14)13(21)22)12-19-10(16)9-11(17)18-7-8-20(9)12/h7-8H,3-6H2,1-2H3,(H2,17,18)(H,21,22).
What are the key properties of 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid?
4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 367.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 121457470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).