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-methylimidazole-4-carboxamide

C18H23N7O3 — CID 172884229

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-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(C4CC4)o3)N2C1
InChIInChI=1S/C18H23N7O3/c1-24-9-19-7-14(24)17(27)21-11-4-13-16(26)20-6-12(25(13)8-11)5-15-22-23-18(28-15)10-2-3-10/h7,9-13H,2-6,8H2,1H3,(H,20,26)(H,21,27)/t11-,12+,13-/m0/s1
InChIKeyAPBDJFOPACFSTI-XQQFMLRXSA-N
MW385.43 g/mol
LogP-0.41
Rot. Bonds5

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-methylimidazole-4-carboxamide

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-methylimidazole-4-carboxamide (PubChem CID 172884229) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 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-methylimidazole-4-carboxamide.

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-methylimidazole-4-carboxamide
PubChem CID172884229
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
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-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](Cc3nnc(C4CC4)o3)N2C1
InChIInChI=1S/C18H23N7O3/c1-24-9-19-7-14(24)17(27)21-11-4-13-16(26)20-6-12(25(13)8-11)5-15-22-23-18(28-15)10-2-3-10/h7,9-13H,2-6,8H2,1H3,(H,20,26)(H,21,27)/t11-,12+,13-/m0/s1
InChIKeyAPBDJFOPACFSTI-XQQFMLRXSA-N
XLogP-0.41
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methylimidazole-4-carboxamide 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-methylimidazole-4-carboxamide?
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-methylimidazole-4-carboxamide (CID 172884229) 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-methylimidazole-4-carboxamide.
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-methylimidazole-4-carboxamide?
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-methylimidazole-4-carboxamide is Cn1cncc1C(=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-methylimidazole-4-carboxamide?
The InChIKey is APBDJFOPACFSTI-XQQFMLRXSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-24-9-19-7-14(24)17(27)21-11-4-13-16(26)20-6-12(25(13)8-11)5-15-22-23-18(28-15)10-2-3-10/h7,9-13H,2-6,8H2,1H3,(H,20,26)(H,21,27)/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-methylimidazole-4-carboxamide?
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-methylimidazole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-methylimidazole-4-carboxamide is sourced from PubChem (CID 172884229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).