cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate

C17H23BrN4O2 — CID 121455661

IUPACcis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate
SMILESCC(C)OC(=O)[C@]1(C)CC[C@](C)(c2nc(Br)c3c(N)nccn23)C1
InChIInChI=1S/C17H23BrN4O2/c1-10(2)24-15(23)17(4)6-5-16(3,9-17)14-21-12(18)11-13(19)20-7-8-22(11)14/h7-8,10H,5-6,9H2,1-4H3,(H2,19,20)/t16-,17+/m0/s1
InChIKeyFFTNDWBBIOIWJN-DLBZAZTESA-N
MW395.30 g/mol
LogP3.47
Rot. Bonds3

About cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate

cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate (PubChem CID 121455661) has the molecular formula C17H23BrN4O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate
PubChem CID121455661
Molecular FormulaC17H23BrN4O2
Molecular Weight395.30 g/mol
Exact Mass394.10
IUPAC Namecis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate
SMILESCC(C)OC(=O)[C@]1(C)CC[C@](C)(c2nc(Br)c3c(N)nccn23)C1
InChIInChI=1S/C17H23BrN4O2/c1-10(2)24-15(23)17(4)6-5-16(3,9-17)14-21-12(18)11-13(19)20-7-8-22(11)14/h7-8,10H,5-6,9H2,1-4H3,(H2,19,20)/t16-,17+/m0/s1
InChIKeyFFTNDWBBIOIWJN-DLBZAZTESA-N
XLogP3.47
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate?
The IUPAC name of cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate (CID 121455661) is cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate is CC(C)OC(=O)[C@]1(C)CC[C@](C)(c2nc(Br)c3c(N)nccn23)C1.
What is the InChIKey of cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate?
The InChIKey is FFTNDWBBIOIWJN-DLBZAZTESA-N. The full InChI is InChI=1S/C17H23BrN4O2/c1-10(2)24-15(23)17(4)6-5-16(3,9-17)14-21-12(18)11-13(19)20-7-8-22(11)14/h7-8,10H,5-6,9H2,1-4H3,(H2,19,20)/t16-,17+/m0/s1.
What are the key properties of cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate?
cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate has a molecular weight of 395.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 121455661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).