[(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone

C23H29N3O2 — CID 58664234

IUPAC[(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(C2CC[C@H]3CN(C(=O)c4ccc(C)nc4)CCN23)c(C)c1C
InChIInChI=1S/C23H29N3O2/c1-15-5-6-18(13-24-15)23(27)25-11-12-26-19(14-25)7-9-21(26)20-8-10-22(28-4)17(3)16(20)2/h5-6,8,10,13,19,21H,7,9,11-12,14H2,1-4H3/t19-,21?/m0/s1
InChIKeyACLNKMWAYWFISC-ZQRQZVKFSA-N
MW379.50 g/mol
LogP3.68
Rot. Bonds3

About [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone

[(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 58664234) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID58664234
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(C2CC[C@H]3CN(C(=O)c4ccc(C)nc4)CCN23)c(C)c1C
InChIInChI=1S/C23H29N3O2/c1-15-5-6-18(13-24-15)23(27)25-11-12-26-19(14-25)7-9-21(26)20-8-10-22(28-4)17(3)16(20)2/h5-6,8,10,13,19,21H,7,9,11-12,14H2,1-4H3/t19-,21?/m0/s1
InChIKeyACLNKMWAYWFISC-ZQRQZVKFSA-N
XLogP3.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone (CID 58664234) is [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccc(C2CC[C@H]3CN(C(=O)c4ccc(C)nc4)CCN23)c(C)c1C.
What is the InChIKey of [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is ACLNKMWAYWFISC-ZQRQZVKFSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-5-6-18(13-24-15)23(27)25-11-12-26-19(14-25)7-9-21(26)20-8-10-22(28-4)17(3)16(20)2/h5-6,8,10,13,19,21H,7,9,11-12,14H2,1-4H3/t19-,21?/m0/s1.
What are the key properties of [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone?
[(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 379.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8aS)-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 58664234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).