3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C29H22N4O — CID 11476255

IUPAC3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(-c3ccc4ccccc4c3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C29H22N4O/c30-28-27-26(23-11-6-12-25(18-23)34-19-20-7-2-1-3-8-20)32-29(33(27)16-15-31-28)24-14-13-21-9-4-5-10-22(21)17-24/h1-18H,19H2,(H2,30,31)
InChIKeyPPRXYJLQRQCZFV-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.38
Rot. Bonds5

About 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11476255) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11476255
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC Name3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(-c3ccc4ccccc4c3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C29H22N4O/c30-28-27-26(23-11-6-12-25(18-23)34-19-20-7-2-1-3-8-20)32-29(33(27)16-15-31-28)24-14-13-21-9-4-5-10-22(21)17-24/h1-18H,19H2,(H2,30,31)
InChIKeyPPRXYJLQRQCZFV-UHFFFAOYSA-N
XLogP6.38
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 11476255) is 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(-c3ccc4ccccc4c3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is PPRXYJLQRQCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O/c30-28-27-26(23-11-6-12-25(18-23)34-19-20-7-2-1-3-8-20)32-29(33(27)16-15-31-28)24-14-13-21-9-4-5-10-22(21)17-24/h1-18H,19H2,(H2,30,31).
What are the key properties of 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 442.52 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11476255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).