3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C26H29N5O — CID 11604324

IUPAC3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)C1
InChIInChI=1S/C26H29N5O/c1-30(2)16-19-13-21(14-19)26-29-23(24-25(27)28-11-12-31(24)26)20-9-6-10-22(15-20)32-17-18-7-4-3-5-8-18/h3-12,15,19,21H,13-14,16-17H2,1-2H3,(H2,27,28)
InChIKeyVGKYCQHCDYKNJN-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.61
Rot. Bonds7

About 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11604324) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11604324
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)C1
InChIInChI=1S/C26H29N5O/c1-30(2)16-19-13-21(14-19)26-29-23(24-25(27)28-11-12-31(24)26)20-9-6-10-22(15-20)32-17-18-7-4-3-5-8-18/h3-12,15,19,21H,13-14,16-17H2,1-2H3,(H2,27,28)
InChIKeyVGKYCQHCDYKNJN-UHFFFAOYSA-N
XLogP4.61
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 11604324) is 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is CN(C)CC1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VGKYCQHCDYKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-30(2)16-19-13-21(14-19)26-29-23(24-25(27)28-11-12-31(24)26)20-9-6-10-22(15-20)32-17-18-7-4-3-5-8-18/h3-12,15,19,21H,13-14,16-17H2,1-2H3,(H2,27,28).
What are the key properties of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 427.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11604324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).