(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C21H24N4O3 — CID 70751011

IUPAC(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOc1cc2c(cc1-c1nccn1[C@H]1C[C@H]3C(=O)N(C)CC(=O)N3C1)CCC2
InChIInChI=1S/C21H24N4O3/c1-23-12-19(26)25-11-15(10-17(25)21(23)27)24-7-6-22-20(24)16-8-13-4-3-5-14(13)9-18(16)28-2/h6-9,15,17H,3-5,10-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyGEXOFFLUIDYPFL-RDJZCZTQSA-N
MW380.45 g/mol
LogP1.66
Rot. Bonds3

About (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 70751011) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID70751011
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOc1cc2c(cc1-c1nccn1[C@H]1C[C@H]3C(=O)N(C)CC(=O)N3C1)CCC2
InChIInChI=1S/C21H24N4O3/c1-23-12-19(26)25-11-15(10-17(25)21(23)27)24-7-6-22-20(24)16-8-13-4-3-5-14(13)9-18(16)28-2/h6-9,15,17H,3-5,10-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyGEXOFFLUIDYPFL-RDJZCZTQSA-N
XLogP1.66
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 70751011) is (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is COc1cc2c(cc1-c1nccn1[C@H]1C[C@H]3C(=O)N(C)CC(=O)N3C1)CCC2.
What is the InChIKey of (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is GEXOFFLUIDYPFL-RDJZCZTQSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23-12-19(26)25-11-15(10-17(25)21(23)27)24-7-6-22-20(24)16-8-13-4-3-5-14(13)9-18(16)28-2/h6-9,15,17H,3-5,10-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 380.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-7-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 70751011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).