1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine

C25H29N5O — CID 122442381

IUPAC1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1ccc2cc(-c3nc(CC4CCN(C)CC4)n4ccnc(N)c34)ccc2c1
InChIInChI=1S/C25H29N5O/c1-3-31-21-7-6-18-15-20(5-4-19(18)16-21)23-24-25(26)27-10-13-30(24)22(28-23)14-17-8-11-29(2)12-9-17/h4-7,10,13,15-17H,3,8-9,11-12,14H2,1-2H3,(H2,26,27)
InChIKeyJRLNZLOGPPLOOP-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.41
Rot. Bonds5

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

1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 122442381) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID122442381
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1ccc2cc(-c3nc(CC4CCN(C)CC4)n4ccnc(N)c34)ccc2c1
InChIInChI=1S/C25H29N5O/c1-3-31-21-7-6-18-15-20(5-4-19(18)16-21)23-24-25(26)27-10-13-30(24)22(28-23)14-17-8-11-29(2)12-9-17/h4-7,10,13,15-17H,3,8-9,11-12,14H2,1-2H3,(H2,26,27)
InChIKeyJRLNZLOGPPLOOP-UHFFFAOYSA-N
XLogP4.41
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine (CID 122442381) is 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine is CCOc1ccc2cc(-c3nc(CC4CCN(C)CC4)n4ccnc(N)c34)ccc2c1.
What is the InChIKey of 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is JRLNZLOGPPLOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-3-31-21-7-6-18-15-20(5-4-19(18)16-21)23-24-25(26)27-10-13-30(24)22(28-23)14-17-8-11-29(2)12-9-17/h4-7,10,13,15-17H,3,8-9,11-12,14H2,1-2H3,(H2,26,27).
What are the key properties of 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine?
1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 415.54 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxynaphthalen-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 122442381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).