N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide

C17H25N5O4 — CID 172884237

IUPACN-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(C4CC4)o3)N2C1
InChIInChI=1S/C17H25N5O4/c1-25-5-4-14(23)19-11-6-13-16(24)18-8-12(22(13)9-11)7-15-20-21-17(26-15)10-2-3-10/h10-13H,2-9H2,1H3,(H,18,24)(H,19,23)/t11-,12+,13-/m0/s1
InChIKeyWDHRFHUWBYJVGC-XQQFMLRXSA-N
MW363.42 g/mol
LogP-0.42
Rot. Bonds7

About N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide

N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide (PubChem CID 172884237) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide
PubChem CID172884237
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC NameN-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(C4CC4)o3)N2C1
InChIInChI=1S/C17H25N5O4/c1-25-5-4-14(23)19-11-6-13-16(24)18-8-12(22(13)9-11)7-15-20-21-17(26-15)10-2-3-10/h10-13H,2-9H2,1H3,(H,18,24)(H,19,23)/t11-,12+,13-/m0/s1
InChIKeyWDHRFHUWBYJVGC-XQQFMLRXSA-N
XLogP-0.42
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide?
The IUPAC name of N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide (CID 172884237) is N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide is COCCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(C4CC4)o3)N2C1.
What is the InChIKey of N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide?
The InChIKey is WDHRFHUWBYJVGC-XQQFMLRXSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-25-5-4-14(23)19-11-6-13-16(24)18-8-12(22(13)9-11)7-15-20-21-17(26-15)10-2-3-10/h10-13H,2-9H2,1H3,(H,18,24)(H,19,23)/t11-,12+,13-/m0/s1.
What are the key properties of N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide?
N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide has a molecular weight of 363.42 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7S,8aS)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-methoxypropanamide is sourced from PubChem (CID 172884237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).