3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine

C25H27N4O2P — CID 170424093

IUPAC3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc(Oc2ccc(-c3nc(C4CCC(C)OC4)n4ccnc(N)c34)cc2)c1P
InChIInChI=1S/C25H27N4O2P/c1-15-4-3-5-20(23(15)32)31-19-10-8-17(9-11-19)21-22-24(26)27-12-13-29(22)25(28-21)18-7-6-16(2)30-14-18/h3-5,8-13,16,18H,6-7,14,32H2,1-2H3,(H2,26,27)
InChIKeyTYWXWFSDDGLYDE-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.86
Rot. Bonds4

About 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine

3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 170424093) has the molecular formula C25H27N4O2P and a molecular weight of 446.49 g/mol. Its IUPAC name is 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID170424093
Molecular FormulaC25H27N4O2P
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc(Oc2ccc(-c3nc(C4CCC(C)OC4)n4ccnc(N)c34)cc2)c1P
InChIInChI=1S/C25H27N4O2P/c1-15-4-3-5-20(23(15)32)31-19-10-8-17(9-11-19)21-22-24(26)27-12-13-29(22)25(28-21)18-7-6-16(2)30-14-18/h3-5,8-13,16,18H,6-7,14,32H2,1-2H3,(H2,26,27)
InChIKeyTYWXWFSDDGLYDE-UHFFFAOYSA-N
XLogP4.86
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023566
[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023560
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023677
[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176299
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
CID 169023625
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
[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 163583745
3-cyclobutyl-1-(3-nitro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539191
3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44539386

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 170424093) is 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine is Cc1cccc(Oc2ccc(-c3nc(C4CCC(C)OC4)n4ccnc(N)c34)cc2)c1P.
What is the InChIKey of 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is TYWXWFSDDGLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N4O2P/c1-15-4-3-5-20(23(15)32)31-19-10-8-17(9-11-19)21-22-24(26)27-12-13-29(22)25(28-21)18-7-6-16(2)30-14-18/h3-5,8-13,16,18H,6-7,14,32H2,1-2H3,(H2,26,27).
What are the key properties of 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 446.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 170424093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).