5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile

C22H23N3O3 — CID 59292172

IUPAC5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCOCCCOc1cc(-c2cc(-c3cc(C#N)c(C)[nH]3)ccn2)ccc1OC
InChIInChI=1S/C22H23N3O3/c1-15-18(14-23)12-20(25-15)17-7-8-24-19(11-17)16-5-6-21(27-3)22(13-16)28-10-4-9-26-2/h5-8,11-13,25H,4,9-10H2,1-3H3
InChIKeyJADHLKZUCQIMMQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.35
Rot. Bonds8

About 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile

5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile (PubChem CID 59292172) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile
PubChem CID59292172
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCOCCCOc1cc(-c2cc(-c3cc(C#N)c(C)[nH]3)ccn2)ccc1OC
InChIInChI=1S/C22H23N3O3/c1-15-18(14-23)12-20(25-15)17-7-8-24-19(11-17)16-5-6-21(27-3)22(13-16)28-10-4-9-26-2/h5-8,11-13,25H,4,9-10H2,1-3H3
InChIKeyJADHLKZUCQIMMQ-UHFFFAOYSA-N
XLogP4.35
TPSA80.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile 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

4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
2-(2-methoxyethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
CID 12991045
5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 59930384
4-(3-butoxy-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585115
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
5-butylsulfanyl-6-(4-methoxy-3-propoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 54473057
5-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828197
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828156
[4-methoxy-3-(3-methoxypropoxy)benzoyl]chloranium
CID 147794030
5-(2-methoxy-4-propan-2-ylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828140
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile (CID 59292172) is 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile is COCCCOc1cc(-c2cc(-c3cc(C#N)c(C)[nH]3)ccn2)ccc1OC.
What is the InChIKey of 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile?
The InChIKey is JADHLKZUCQIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-18(14-23)12-20(25-15)17-7-8-24-19(11-17)16-5-6-21(27-3)22(13-16)28-10-4-9-26-2/h5-8,11-13,25H,4,9-10H2,1-3H3.
What are the key properties of 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile?
5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile has a molecular weight of 377.44 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-4-pyridinyl]-2-methyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59292172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).