tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

C18H25BrN6O2 — CID 150763312

IUPACtert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(c3nc(Br)c4c(N)nccn34)CC2)C1
InChIInChI=1S/C18H25BrN6O2/c1-17(2,3)27-16(26)24-10-18(11-24)4-7-23(8-5-18)15-22-13(19)12-14(20)21-6-9-25(12)15/h6,9H,4-5,7-8,10-11H2,1-3H3,(H2,20,21)
InChIKeyJYHFXBDPMFEQDH-UHFFFAOYSA-N
MW437.34 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 150763312) has the molecular formula C18H25BrN6O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID150763312
Molecular FormulaC18H25BrN6O2
Molecular Weight437.34 g/mol
Exact Mass436.12
IUPAC Nametert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(c3nc(Br)c4c(N)nccn34)CC2)C1
InChIInChI=1S/C18H25BrN6O2/c1-17(2,3)27-16(26)24-10-18(11-24)4-7-23(8-5-18)15-22-13(19)12-14(20)21-6-9-25(12)15/h6,9H,4-5,7-8,10-11H2,1-3H3,(H2,20,21)
InChIKeyJYHFXBDPMFEQDH-UHFFFAOYSA-N
XLogP2.91
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 168901631
tert-butyl 7-(2-aminophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 89272008
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 7-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 171852835
tert-butyl 2-(6-amino-5-nitro-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 169033421
tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
CID 58447020
tert-butyl 7-(3-fluoro-5-nitro-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 166472130
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 176564154

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 150763312) is tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(c3nc(Br)c4c(N)nccn34)CC2)C1.
What is the InChIKey of tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is JYHFXBDPMFEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN6O2/c1-17(2,3)27-16(26)24-10-18(11-24)4-7-23(8-5-18)15-22-13(19)12-14(20)21-6-9-25(12)15/h6,9H,4-5,7-8,10-11H2,1-3H3,(H2,20,21).
What are the key properties of tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 437.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 150763312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).