(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C21H26N4O2 — CID 75368680

IUPAC(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc4ccccc4n3)CCN12
InChIInChI=1S/C21H26N4O2/c26-21-24-10-9-23(13-17-6-5-16-3-1-2-4-20(16)22-17)14-19(24)15-25(21)18-7-11-27-12-8-18/h1-6,18-19H,7-15H2/t19-/m1/s1
InChIKeyUJCBHCJSKQYWHQ-LJQANCHMSA-N
MW366.46 g/mol
LogP2.34
Rot. Bonds3

About (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368680) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368680
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc4ccccc4n3)CCN12
InChIInChI=1S/C21H26N4O2/c26-21-24-10-9-23(13-17-6-5-16-3-1-2-4-20(16)22-17)14-19(24)15-25(21)18-7-11-27-12-8-18/h1-6,18-19H,7-15H2/t19-/m1/s1
InChIKeyUJCBHCJSKQYWHQ-LJQANCHMSA-N
XLogP2.34
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368680) is (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(C2CCOCC2)C[C@H]2CN(Cc3ccc4ccccc4n3)CCN12.
What is the InChIKey of (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is UJCBHCJSKQYWHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21-24-10-9-23(13-17-6-5-16-3-1-2-4-20(16)22-17)14-19(24)15-25(21)18-7-11-27-12-8-18/h1-6,18-19H,7-15H2/t19-/m1/s1.
What are the key properties of (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 366.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).