N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide

C18H26N6O3 — CID 122564678

IUPACN-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide
SMILESCO[C@@]12CC[C@@H](NC(=O)Cn3cccn3)C[C@@H]1N(Cc1nc(C)no1)CC2
InChIInChI=1S/C18H26N6O3/c1-13-20-17(27-22-13)12-23-9-6-18(26-2)5-4-14(10-15(18)23)21-16(25)11-24-8-3-7-19-24/h3,7-8,14-15H,4-6,9-12H2,1-2H3,(H,21,25)/t14-,15+,18-/m1/s1
InChIKeyMEQBTKJTSLLXQN-RVKKMQEKSA-N
MW374.45 g/mol
LogP0.90
Rot. Bonds6

About N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide

N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide (PubChem CID 122564678) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide
PubChem CID122564678
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide
SMILESCO[C@@]12CC[C@@H](NC(=O)Cn3cccn3)C[C@@H]1N(Cc1nc(C)no1)CC2
InChIInChI=1S/C18H26N6O3/c1-13-20-17(27-22-13)12-23-9-6-18(26-2)5-4-14(10-15(18)23)21-16(25)11-24-8-3-7-19-24/h3,7-8,14-15H,4-6,9-12H2,1-2H3,(H,21,25)/t14-,15+,18-/m1/s1
InChIKeyMEQBTKJTSLLXQN-RVKKMQEKSA-N
XLogP0.90
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide with MolForge

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Related Compounds

N-[rac-(3aR,6R,7aS)-1-(1H-imidazol-2-ylmethyl)-3a-methoxyoctahydro-1H-indol-6-yl]-2-(1H-pyrazol-1-yl)acetamide
CID 122561952
N-{rel-(3aR,5S,6S,7aS)-6-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]octahydro-1H-isoindol-5-yl}-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 172664486

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide (CID 122564678) is N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide is CO[C@@]12CC[C@@H](NC(=O)Cn3cccn3)C[C@@H]1N(Cc1nc(C)no1)CC2.
What is the InChIKey of N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is MEQBTKJTSLLXQN-RVKKMQEKSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-13-20-17(27-22-13)12-23-9-6-18(26-2)5-4-14(10-15(18)23)21-16(25)11-24-8-3-7-19-24/h3,7-8,14-15H,4-6,9-12H2,1-2H3,(H,21,25)/t14-,15+,18-/m1/s1.
What are the key properties of N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide?
N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 374.45 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6R,7aS)-3a-methoxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 122564678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).