benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

C19H19BrFN5O2 — CID 71235540

IUPACbenzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESNc1ncc(F)n2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12
InChIInChI=1S/C19H19BrFN5O2/c20-16-15-17(22)23-9-14(21)26(15)18(24-16)13-7-4-8-25(10-13)19(27)28-11-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H2,22,23)/t13-/m1/s1
InChIKeyWMGIPIPKYBGHCT-CYBMUJFWSA-N
MW448.30 g/mol
LogP3.73
Rot. Bonds3

About benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (PubChem CID 71235540) has the molecular formula C19H19BrFN5O2 and a molecular weight of 448.30 g/mol. Its IUPAC name is benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
PubChem CID71235540
Molecular FormulaC19H19BrFN5O2
Molecular Weight448.30 g/mol
Exact Mass447.07
IUPAC Namebenzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESNc1ncc(F)n2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12
InChIInChI=1S/C19H19BrFN5O2/c20-16-15-17(22)23-9-14(21)26(15)18(24-16)13-7-4-8-25(10-13)19(27)28-11-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H2,22,23)/t13-/m1/s1
InChIKeyWMGIPIPKYBGHCT-CYBMUJFWSA-N
XLogP3.73
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983
2-[1-(1-Benzyloxycarbonylpiperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine
CID 15550584
[(1S)-1-(4-fluorophenyl)ethyl] N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
CID 122485162
benzyl 3-(7H-imidazo[1,5-c]pyrrolo[3,2-e]pyrimidin-1-yl)piperidine-1-carboxylate
CID 70983629
Benzyl 4-(7H-imidazo[1,5-c]pyrrolo[3,2-e]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71264006
[2-Fluoro-3-(4-imidazo[1,2-a]pyridin-7-ylpiperazin-1-yl)phenyl]methyl 3-amino-3-iminopropanoate
CID 134819765
US11376258, Example 16
CID 166596075
US11376258, Example 13
CID 166596207
US11376258, Example 17
CID 166596565
benzyl N-[9-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]purin-6-yl]carbamate
CID 44144267
2-[1-(1-Benzyloxycarbonylpiperidin-4-yl)methyl-amino]-4-[benzimidazol-1-yl]pyrimidine
CID 9803404
benzyl 2-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867984

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (CID 71235540) is benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is Nc1ncc(F)n2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12.
What is the InChIKey of benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The InChIKey is WMGIPIPKYBGHCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19BrFN5O2/c20-16-15-17(22)23-9-14(21)26(15)18(24-16)13-7-4-8-25(10-13)19(27)28-11-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H2,22,23)/t13-/m1/s1.
What are the key properties of benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate has a molecular weight of 448.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(8-amino-1-bromo-5-fluoroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 71235540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).