4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide

C29H33N5O3 — CID 67415833

IUPAC4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCC(O)CNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C29H33N5O3/c1-19(35)17-32-29(36)22-12-10-21(11-13-22)28-33-25(26-27(30)31-14-15-34(26)28)23-8-5-9-24(16-23)37-18-20-6-3-2-4-7-20/h2-9,14-16,19,21-22,35H,10-13,17-18H2,1H3,(H2,30,31)(H,32,36)
InChIKeyWXEVIEZRBDIUIS-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.33
Rot. Bonds8

About 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide

4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide (PubChem CID 67415833) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
PubChem CID67415833
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCC(O)CNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C29H33N5O3/c1-19(35)17-32-29(36)22-12-10-21(11-13-22)28-33-25(26-27(30)31-14-15-34(26)28)23-8-5-9-24(16-23)37-18-20-6-3-2-4-7-20/h2-9,14-16,19,21-22,35H,10-13,17-18H2,1H3,(H2,30,31)(H,32,36)
InChIKeyWXEVIEZRBDIUIS-UHFFFAOYSA-N
XLogP4.33
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 67417649
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
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
3-[3-(anilinomethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67416861
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
CID 11640783
3-[3-(2,5-dihydropyrrol-1-ylmethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417957
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide (CID 67415833) is 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide is CC(O)CNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide?
The InChIKey is WXEVIEZRBDIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-19(35)17-32-29(36)22-12-10-21(11-13-22)28-33-25(26-27(30)31-14-15-34(26)28)23-8-5-9-24(16-23)37-18-20-6-3-2-4-7-20/h2-9,14-16,19,21-22,35H,10-13,17-18H2,1H3,(H2,30,31)(H,32,36).
What are the key properties of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide?
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67415833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).