N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

C27H31N5O — CID 11178204

IUPACN-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc(C)c1Nc1ncc(-c2cccc(OCC3CCCN(C)C3)c2)n2cncc12
InChIInChI=1S/C27H31N5O/c1-19-7-4-8-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-10-5-11-23(13-22)33-17-21-9-6-12-31(3)16-21/h4-5,7-8,10-11,13-15,18,21H,6,9,12,16-17H2,1-3H3,(H,29,30)
InChIKeyCMZVYJMYCACHOM-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.48
Rot. Bonds6

About N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11178204) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID11178204
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc(C)c1Nc1ncc(-c2cccc(OCC3CCCN(C)C3)c2)n2cncc12
InChIInChI=1S/C27H31N5O/c1-19-7-4-8-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-10-5-11-23(13-22)33-17-21-9-6-12-31(3)16-21/h4-5,7-8,10-11,13-15,18,21H,6,9,12,16-17H2,1-3H3,(H,29,30)
InChIKeyCMZVYJMYCACHOM-UHFFFAOYSA-N
XLogP5.48
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 11178204) is N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Cc1cccc(C)c1Nc1ncc(-c2cccc(OCC3CCCN(C)C3)c2)n2cncc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CMZVYJMYCACHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-19-7-4-8-20(2)26(19)30-27-25-14-28-18-32(25)24(15-29-27)22-10-5-11-23(13-22)33-17-21-9-6-12-31(3)16-21/h4-5,7-8,10-11,13-15,18,21H,6,9,12,16-17H2,1-3H3,(H,29,30).
What are the key properties of N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 441.58 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11178204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).