8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C21H24N4O5 — CID 172672286

IUPAC8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1c(C)ccn(-c3ccc(OC)nc3)c1=O)C2
InChIInChI=1S/C21H24N4O5/c1-4-21-12-23(9-10-25(21)20(28)30-13-21)18(26)17-14(2)7-8-24(19(17)27)15-5-6-16(29-3)22-11-15/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyQTVNYSBXDAAIEO-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.61
Rot. Bonds4

About 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 172672286) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID172672286
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1c(C)ccn(-c3ccc(OC)nc3)c1=O)C2
InChIInChI=1S/C21H24N4O5/c1-4-21-12-23(9-10-25(21)20(28)30-13-21)18(26)17-14(2)7-8-24(19(17)27)15-5-6-16(29-3)22-11-15/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyQTVNYSBXDAAIEO-UHFFFAOYSA-N
XLogP1.61
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 172672286) is 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)c1c(C)ccn(-c3ccc(OC)nc3)c1=O)C2.
What is the InChIKey of 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is QTVNYSBXDAAIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-4-21-12-23(9-10-25(21)20(28)30-13-21)18(26)17-14(2)7-8-24(19(17)27)15-5-6-16(29-3)22-11-15/h5-8,11H,4,9-10,12-13H2,1-3H3.
What are the key properties of 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 412.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 172672286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).