2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde

C19H21N5O3 — CID 129020956

IUPAC2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCCc2cccnc2-c2ncnn2C(C)C)cn1
InChIInChI=1S/C19H21N5O3/c1-13(2)24-19(22-12-23-24)18-14(5-4-7-20-18)6-8-27-16-10-21-17(26-3)9-15(16)11-25/h4-5,7,9-13H,6,8H2,1-3H3
InChIKeyPEDGOMJHXXZOJQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.76
Rot. Bonds8

About 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde

2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde (PubChem CID 129020956) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
PubChem CID129020956
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCCc2cccnc2-c2ncnn2C(C)C)cn1
InChIInChI=1S/C19H21N5O3/c1-13(2)24-19(22-12-23-24)18-14(5-4-7-20-18)6-8-27-16-10-21-17(26-3)9-15(16)11-25/h4-5,7,9-13H,6,8H2,1-3H3
InChIKeyPEDGOMJHXXZOJQ-UHFFFAOYSA-N
XLogP2.76
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde 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

2-(2-methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 85472987
5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71621759
2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622313
3-methoxy-5-[2-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 169285053
2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde
CID 86305517
5-[[2-methanimidoyl-3-(methylamino)phenyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 145045544
4-ethenyl-2-methoxy-5-[[2-(4-methoxyphenyl)-3-pyridinyl]methoxy]pyridine
CID 90438074
2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine
CID 167779983
tert-butyl 4-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]-5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 145045384
2-[(4-formyl-6-methoxy-3-pyridinyl)oxymethyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 146401798
5-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 90427809

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde (CID 129020956) is 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCCc2cccnc2-c2ncnn2C(C)C)cn1.
What is the InChIKey of 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
The InChIKey is PEDGOMJHXXZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13(2)24-19(22-12-23-24)18-14(5-4-7-20-18)6-8-27-16-10-21-17(26-3)9-15(16)11-25/h4-5,7,9-13H,6,8H2,1-3H3.
What are the key properties of 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde has a molecular weight of 367.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 129020956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).