trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide

C24H23N5O2 — CID 142682586

IUPACtrans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H]1c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
InChIInChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-17(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)12-11-27-22)19-10-9-18(19)23(26)30/h1-8,11-13,18-19H,9-10,14H2,(H2,25,27)(H2,26,30)/t18-,19-/m1/s1
InChIKeyYFKBVGAPKRSREO-RTBURBONSA-N
MW413.48 g/mol
LogP3.54
Rot. Bonds6

About trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide

trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide (PubChem CID 142682586) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
PubChem CID142682586
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Nametrans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H]1c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
InChIInChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-17(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)12-11-27-22)19-10-9-18(19)23(26)30/h1-8,11-13,18-19H,9-10,14H2,(H2,25,27)(H2,26,30)/t18-,19-/m1/s1
InChIKeyYFKBVGAPKRSREO-RTBURBONSA-N
XLogP3.54
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
3-cyclohexyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)ethyl-methylcarbamic acid
CID 67417945
3-[3-(2,5-dihydropyrrol-1-ylmethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417957
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
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 67417649
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
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-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide (CID 142682586) is trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide is NC(=O)[C@@H]1CC[C@H]1c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12.
What is the InChIKey of trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is YFKBVGAPKRSREO-RTBURBONSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-17(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)12-11-27-22)19-10-9-18(19)23(26)30/h1-8,11-13,18-19H,9-10,14H2,(H2,25,27)(H2,26,30)/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 142682586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).