[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone

C16H24N4O3 — CID 97026691

IUPAC[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1N1CCOCC1
InChIInChI=1S/C16H24N4O3/c1-3-12-10-20(11-14(12)19-6-8-23-9-7-19)16(21)13-4-5-15(22-2)18-17-13/h4-5,12,14H,3,6-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyURICKAZSSNCIFF-TZMCWYRMSA-N
MW320.39 g/mol
LogP0.67
Rot. Bonds4

About [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone

[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone (PubChem CID 97026691) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
PubChem CID97026691
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
SMILESCC[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1N1CCOCC1
InChIInChI=1S/C16H24N4O3/c1-3-12-10-20(11-14(12)19-6-8-23-9-7-19)16(21)13-4-5-15(22-2)18-17-13/h4-5,12,14H,3,6-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyURICKAZSSNCIFF-TZMCWYRMSA-N
XLogP0.67
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026721
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964
[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone
CID 98187752
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 97026725
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026553
(2S)-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 98785151
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026569
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996283

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone (CID 97026691) is [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone is CC[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1N1CCOCC1.
What is the InChIKey of [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is URICKAZSSNCIFF-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-12-10-20(11-14(12)19-6-8-23-9-7-19)16(21)13-4-5-15(22-2)18-17-13/h4-5,12,14H,3,6-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone?
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 97026691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).