6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C18H17BrIN3O2 — CID 134468776

IUPAC6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2cc(Br)n1Cc1cccc(I)c1
InChIInChI=1S/C18H17BrIN3O2/c19-16-11-22-15(9-21-17(22)13-4-6-25-7-5-13)18(24)23(16)10-12-2-1-3-14(20)8-12/h1-3,8-9,11,13H,4-7,10H2
InChIKeySNAJTLASAKITHI-UHFFFAOYSA-N
MW514.16 g/mol
LogP3.81
Rot. Bonds3

About 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 134468776) has the molecular formula C18H17BrIN3O2 and a molecular weight of 514.16 g/mol. Its IUPAC name is 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID134468776
Molecular FormulaC18H17BrIN3O2
Molecular Weight514.16 g/mol
Exact Mass512.95
IUPAC Name6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CCOCC3)n2cc(Br)n1Cc1cccc(I)c1
InChIInChI=1S/C18H17BrIN3O2/c19-16-11-22-15(9-21-17(22)13-4-6-25-7-5-13)18(24)23(16)10-12-2-1-3-14(20)8-12/h1-3,8-9,11,13H,4-7,10H2
InChIKeySNAJTLASAKITHI-UHFFFAOYSA-N
XLogP3.81
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-(cyclopentylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652331
7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 134458594
3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637788
3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
CID 122652326
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 138709808
7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
CID 122652241
4-methyl-12-(oxan-4-yl)-6-oxa-1,5,11,13-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-3(7),4,9,12,14-pentaen-16-one
CID 153159473
[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143209
3-methyl-2-[2-(4-methylphenyl)ethyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 134252107
4-[[3-methyl-4-[3-(oxan-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 71550425

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 134468776) is 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is O=c1c2cnc(C3CCOCC3)n2cc(Br)n1Cc1cccc(I)c1.
What is the InChIKey of 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is SNAJTLASAKITHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrIN3O2/c19-16-11-22-15(9-21-17(22)13-4-6-25-7-5-13)18(24)23(16)10-12-2-1-3-14(20)8-12/h1-3,8-9,11,13H,4-7,10H2.
What are the key properties of 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 514.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 134468776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).