2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde

C24H26N4O3 — CID 87189624

IUPAC2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde
SMILESCOc1cc(C2CN(c3ccccn3)CCN2C=O)c(N)cc1OCc1ccccc1
InChIInChI=1S/C24H26N4O3/c1-30-22-13-19(20(25)14-23(22)31-16-18-7-3-2-4-8-18)21-15-27(11-12-28(21)17-29)24-9-5-6-10-26-24/h2-10,13-14,17,21H,11-12,15-16,25H2,1H3
InChIKeyIQBWYFNTEWILJJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde

2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde (PubChem CID 87189624) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde
PubChem CID87189624
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde
SMILESCOc1cc(C2CN(c3ccccn3)CCN2C=O)c(N)cc1OCc1ccccc1
InChIInChI=1S/C24H26N4O3/c1-30-22-13-19(20(25)14-23(22)31-16-18-7-3-2-4-8-18)21-15-27(11-12-28(21)17-29)24-9-5-6-10-26-24/h2-10,13-14,17,21H,11-12,15-16,25H2,1H3
InChIKeyIQBWYFNTEWILJJ-UHFFFAOYSA-N
XLogP3.27
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-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-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-4-quinazolin-4-ylpiperazine-1-carbaldehyde
CID 87189534
1-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 91246630
(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-pyridin-2-ylpiperazine
CID 129361888
ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetate
CID 18403871
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 63671263
5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 134809813
ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetate;dihydrochloride
CID 18403870
[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 69039345
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 59451825

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde?
The IUPAC name of 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde (CID 87189624) is 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde is COc1cc(C2CN(c3ccccn3)CCN2C=O)c(N)cc1OCc1ccccc1.
What is the InChIKey of 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde?
The InChIKey is IQBWYFNTEWILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-22-13-19(20(25)14-23(22)31-16-18-7-3-2-4-8-18)21-15-27(11-12-28(21)17-29)24-9-5-6-10-26-24/h2-10,13-14,17,21H,11-12,15-16,25H2,1H3.
What are the key properties of 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde?
2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde has a molecular weight of 418.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 87189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).