6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one

C32H36Br2N10O2 — CID 161414845

IUPAC6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
SMILESNc1nccn2c(C3CCC4N(C3)C(=O)CC43CC3)nc(Br)c12.Nc1nccn2c(C3CCC4N(C3)C(=O)CC43CC3)nc(Br)c12
InChIInChI=1S/2C16H18BrN5O/c2*17-13-12-14(18)19-5-6-21(12)15(20-13)9-1-2-10-16(3-4-16)7-11(23)22(10)8-9/h2*5-6,9-10H,1-4,7-8H2,(H2,18,19)
InChIKeyVVYFCFXDIPVNOF-UHFFFAOYSA-N
MW752.52 g/mol
LogP4.66
Rot. Bonds2

About 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one

6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one (PubChem CID 161414845) has the molecular formula C32H36Br2N10O2 and a molecular weight of 752.52 g/mol. Its IUPAC name is 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
PubChem CID161414845
Molecular FormulaC32H36Br2N10O2
Molecular Weight752.52 g/mol
Exact Mass750.14
IUPAC Name6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
SMILESNc1nccn2c(C3CCC4N(C3)C(=O)CC43CC3)nc(Br)c12.Nc1nccn2c(C3CCC4N(C3)C(=O)CC43CC3)nc(Br)c12
InChIInChI=1S/2C16H18BrN5O/c2*17-13-12-14(18)19-5-6-21(12)15(20-13)9-1-2-10-16(3-4-16)7-11(23)22(10)8-9/h2*5-6,9-10H,1-4,7-8H2,(H2,18,19)
InChIKeyVVYFCFXDIPVNOF-UHFFFAOYSA-N
XLogP4.66
TPSA153.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500752.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one with MolForge

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Related Compounds

(7R,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 90283466
(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 138600859
(7S,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 90283752
(6R,8aS)-6-[8-amino-1-[4-[(1R)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
CID 121464589
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
CID 123183862
(6R,8aS)-6-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 86727794
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374
(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
CID 90283041
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385

Frequently Asked Questions

What is the IUPAC name of 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one?
The IUPAC name of 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one (CID 161414845) is 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one?
The canonical SMILES for 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one is Nc1nccn2c(C3CCC4N(C3)C(=O)CC43CC3)nc(Br)c12.Nc1nccn2c(C3CCC4N(C3)C(=O)CC43CC3)nc(Br)c12.
What is the InChIKey of 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one?
The InChIKey is VVYFCFXDIPVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18BrN5O/c2*17-13-12-14(18)19-5-6-21(12)15(20-13)9-1-2-10-16(3-4-16)7-11(23)22(10)8-9/h2*5-6,9-10H,1-4,7-8H2,(H2,18,19).
What are the key properties of 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one?
6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one has a molecular weight of 752.52 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one is sourced from PubChem (CID 161414845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).