2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde

C28H32N4O3 — CID 143409900

IUPAC2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde
SMILESCNc1ccccc1-c1cn2ccccc2n1.COC1=C(CN2CCOCC2)C=CC(C=O)=CC1
InChIInChI=1S/C14H13N3.C14H19NO3/c1-15-12-7-3-2-6-11(12)13-10-17-9-5-4-8-14(17)16-13;1-17-14-5-3-12(11-16)2-4-13(14)10-15-6-8-18-9-7-15/h2-10,15H,1H3;2-4,11H,5-10H2,1H3
InChIKeyZVZWKHOZMBTNFX-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.35
Rot. Bonds6

About 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde

2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde (PubChem CID 143409900) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde
PubChem CID143409900
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde
SMILESCNc1ccccc1-c1cn2ccccc2n1.COC1=C(CN2CCOCC2)C=CC(C=O)=CC1
InChIInChI=1S/C14H13N3.C14H19NO3/c1-15-12-7-3-2-6-11(12)13-10-17-9-5-4-8-14(17)16-13;1-17-14-5-3-12(11-16)2-4-13(14)10-15-6-8-18-9-7-15/h2-10,15H,1H3;2-4,11H,5-10H2,1H3
InChIKeyZVZWKHOZMBTNFX-UHFFFAOYSA-N
XLogP4.35
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-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

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde (CID 143409900) is 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde is CNc1ccccc1-c1cn2ccccc2n1.COC1=C(CN2CCOCC2)C=CC(C=O)=CC1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde?
The InChIKey is ZVZWKHOZMBTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C14H19NO3/c1-15-12-7-3-2-6-11(12)13-10-17-9-5-4-8-14(17)16-13;1-17-14-5-3-12(11-16)2-4-13(14)10-15-6-8-18-9-7-15/h2-10,15H,1H3;2-4,11H,5-10H2,1H3.
What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde?
2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde has a molecular weight of 472.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-yl-N-methylaniline;4-methoxy-5-(morpholin-4-ylmethyl)cyclohepta-1,4,6-triene-1-carbaldehyde is sourced from PubChem (CID 143409900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).