3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C25H25N5O — CID 146530325

IUPAC3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C34CCC(N)(CC3)C4)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C25H25N5O/c26-22-21-20(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)29-23(30(21)15-14-28-22)24-10-12-25(27,16-24)13-11-24/h1-9,14-15H,10-13,16,27H2,(H2,26,28)
InChIKeyQMPJRMJKDADLRX-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.68
Rot. Bonds4

About 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 146530325) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID146530325
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C34CCC(N)(CC3)C4)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C25H25N5O/c26-22-21-20(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)29-23(30(21)15-14-28-22)24-10-12-25(27,16-24)13-11-24/h1-9,14-15H,10-13,16,27H2,(H2,26,28)
InChIKeyQMPJRMJKDADLRX-UHFFFAOYSA-N
XLogP4.68
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538701
3-(furan-3-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538803
3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538805
[4-[8-amino-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-oxabicyclo[2.2.2]octan-1-yl]methanol
CID 169023579
[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one
CID 146177142
[4-[8-amino-1-[4-[difluoro-(2-fluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-oxabicyclo[2.2.2]octan-1-yl]methanol
CID 169023600
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201
6-cyclopentyl-8-(4-phenoxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine
CID 21036872
benzyl N-[4-[8-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]carbamate
CID 164766062

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 146530325) is 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C34CCC(N)(CC3)C4)nc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is QMPJRMJKDADLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-22-21-20(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)29-23(30(21)15-14-28-22)24-10-12-25(27,16-24)13-11-24/h1-9,14-15H,10-13,16,27H2,(H2,26,28).
What are the key properties of 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 411.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 146530325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).