benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine

C31H31N5O3 — CID 146482911

IUPACbenzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=COCc1ccccc1
InChIInChI=1S/C23H23N5O.C8H8O2/c24-22-21-20(16-8-10-19(11-9-16)29-18-6-2-1-3-7-18)27-23(28(21)14-13-26-22)17-5-4-12-25-15-17;9-7-10-6-8-4-2-1-3-5-8/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-5,7H,6H2
InChIKeyRSVABZXIGZREQE-UHFFFAOYSA-N
MW521.62 g/mol
LogP5.60
Rot. Bonds7

About benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine

benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 146482911) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Namebenzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID146482911
Molecular FormulaC31H31N5O3
Molecular Weight521.62 g/mol
Exact Mass521.24
IUPAC Namebenzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=COCc1ccccc1
InChIInChI=1S/C23H23N5O.C8H8O2/c24-22-21-20(16-8-10-19(11-9-16)29-18-6-2-1-3-7-18)27-23(28(21)14-13-26-22)17-5-4-12-25-15-17;9-7-10-6-8-4-2-1-3-5-8/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-5,7H,6H2
InChIKeyRSVABZXIGZREQE-UHFFFAOYSA-N
XLogP5.60
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 146255696
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 159138732
[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
3-cyclobutyl-1-(3-nitro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539191
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68898085
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
benzyl formate;piperidin-3-ylhydrazine
CID 174774253
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357

Frequently Asked Questions

What is the IUPAC name of benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine (CID 146482911) is benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is RSVABZXIGZREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C8H8O2/c24-22-21-20(16-8-10-19(11-9-16)29-18-6-2-1-3-7-18)27-23(28(21)14-13-26-22)17-5-4-12-25-15-17;9-7-10-6-8-4-2-1-3-5-8/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-5,7H,6H2.
What are the key properties of benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 521.62 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 146482911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).