(2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone

C20H23IN2O3 — CID 142424294

IUPAC(2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1Oc1cc(I)cc(C)n1
InChIInChI=1S/C20H23IN2O3/c1-12-5-6-13(2)16(7-12)20(24)23-10-17(25-4)18(11-23)26-19-9-15(21)8-14(3)22-19/h5-9,17-18H,10-11H2,1-4H3/t17-,18-/m1/s1
InChIKeyXVZMWSOIWFURFA-QZTJIDSGSA-N
MW466.32 g/mol
LogP3.53
Rot. Bonds4

About (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone

(2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 142424294) has the molecular formula C20H23IN2O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone
PubChem CID142424294
Molecular FormulaC20H23IN2O3
Molecular Weight466.32 g/mol
Exact Mass466.08
IUPAC Name(2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1Oc1cc(I)cc(C)n1
InChIInChI=1S/C20H23IN2O3/c1-12-5-6-13(2)16(7-12)20(24)23-10-17(25-4)18(11-23)26-19-9-15(21)8-14(3)22-19/h5-9,17-18H,10-11H2,1-4H3/t17-,18-/m1/s1
InChIKeyXVZMWSOIWFURFA-QZTJIDSGSA-N
XLogP3.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-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

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone (CID 142424294) is (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone is CO[C@@H]1CN(C(=O)c2cc(C)ccc2C)C[C@H]1Oc1cc(I)cc(C)n1.
What is the InChIKey of (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is XVZMWSOIWFURFA-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H23IN2O3/c1-12-5-6-13(2)16(7-12)20(24)23-10-17(25-4)18(11-23)26-19-9-15(21)8-14(3)22-19/h5-9,17-18H,10-11H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone?
(2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 466.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[(3R,4R)-3-[(4-iodo-6-methyl-2-pyridinyl)oxy]-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 142424294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).