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

C18H26N4O3 — CID 75368682

IUPAC(8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1cccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1
InChIInChI=1S/C18H26N4O3/c1-24-17-4-2-3-14(19-17)11-20-7-8-21-16(12-20)13-22(18(21)23)15-5-9-25-10-6-15/h2-4,15-16H,5-13H2,1H3/t16-/m1/s1
InChIKeyVFYHQDLJAPUZAC-MRXNPFEDSA-N
MW346.43 g/mol
LogP1.19
Rot. Bonds4

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

(8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368682) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368682
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1cccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1
InChIInChI=1S/C18H26N4O3/c1-24-17-4-2-3-14(19-17)11-20-7-8-21-16(12-20)13-22(18(21)23)15-5-9-25-10-6-15/h2-4,15-16H,5-13H2,1H3/t16-/m1/s1
InChIKeyVFYHQDLJAPUZAC-MRXNPFEDSA-N
XLogP1.19
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368682) is (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COc1cccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)n1.
What is the InChIKey of (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is VFYHQDLJAPUZAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-24-17-4-2-3-14(19-17)11-20-7-8-21-16(12-20)13-22(18(21)23)15-5-9-25-10-6-15/h2-4,15-16H,5-13H2,1H3/t16-/m1/s1.
What are the key properties of (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(6-methoxy-2-pyridinyl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).