3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C27H31N5O — CID 44539097

IUPAC3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CCC(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H31N5O/c1-31(2)18-19-8-10-21(11-9-19)27-30-24(25-26(28)29-16-17-32(25)27)20-12-14-23(15-13-20)33-22-6-4-3-5-7-22/h3-7,12-17,19,21H,8-11,18H2,1-2H3,(H2,28,29)
InChIKeyXXHCTGGQHYUWIS-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.61
Rot. Bonds6

About 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 44539097) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID44539097
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CCC(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H31N5O/c1-31(2)18-19-8-10-21(11-9-19)27-30-24(25-26(28)29-16-17-32(25)27)20-12-14-23(15-13-20)33-22-6-4-3-5-7-22/h3-7,12-17,19,21H,8-11,18H2,1-2H3,(H2,28,29)
InChIKeyXXHCTGGQHYUWIS-UHFFFAOYSA-N
XLogP5.61
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
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-[2-(dimethylamino)ethoxy]phenyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538805
3-cyclobutyl-1-(3-nitro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539191
3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538701
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 146482911
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid
CID 159433044

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 44539097) is 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is CN(C)CC1CCC(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is XXHCTGGQHYUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-31(2)18-19-8-10-21(11-9-19)27-30-24(25-26(28)29-16-17-32(25)27)20-12-14-23(15-13-20)33-22-6-4-3-5-7-22/h3-7,12-17,19,21H,8-11,18H2,1-2H3,(H2,28,29).
What are the key properties of 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 441.58 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 44539097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).