N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide

C30H28N6O2 — CID 11477632

IUPACN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)Cc5ccccn5)c4)c3)c12
InChIInChI=1S/C30H28N6O2/c31-29-28-27(35-30(21-7-4-8-21)36(28)15-14-33-29)22-9-5-12-25(17-22)38-19-20-6-3-11-24(16-20)34-26(37)18-23-10-1-2-13-32-23/h1-3,5-6,9-17,21H,4,7-8,18-19H2,(H2,31,33)(H,34,37)
InChIKeyQEBPHOYYGZEUKD-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.40
Rot. Bonds8

About N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide

N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide (PubChem CID 11477632) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide
PubChem CID11477632
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC NameN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)Cc5ccccn5)c4)c3)c12
InChIInChI=1S/C30H28N6O2/c31-29-28-27(35-30(21-7-4-8-21)36(28)15-14-33-29)22-9-5-12-25(17-22)38-19-20-6-3-11-24(16-20)34-26(37)18-23-10-1-2-13-32-23/h1-3,5-6,9-17,21H,4,7-8,18-19H2,(H2,31,33)(H,34,37)
InChIKeyQEBPHOYYGZEUKD-UHFFFAOYSA-N
XLogP5.40
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide
CID 11156524
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
3-cyclohexyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)ethyl-methylcarbamic acid
CID 67417945
2-[2-[[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]methyl]isoindol-1-yl]-2-oxoacetaldehyde
CID 174621237
3-[3-(anilinomethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67416861
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 67415833
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 67417649

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide (CID 11477632) is N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)Cc5ccccn5)c4)c3)c12.
What is the InChIKey of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide?
The InChIKey is QEBPHOYYGZEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c31-29-28-27(35-30(21-7-4-8-21)36(28)15-14-33-29)22-9-5-12-25(17-22)38-19-20-6-3-11-24(16-20)34-26(37)18-23-10-1-2-13-32-23/h1-3,5-6,9-17,21H,4,7-8,18-19H2,(H2,31,33)(H,34,37).
What are the key properties of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide?
N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide has a molecular weight of 504.59 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 11477632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).