7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C23H23N5O2 — CID 57392473

IUPAC7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12
InChIInChI=1S/C23H23N5O2/c1-29-22-5-3-2-4-20(22)21-11-10-19-16-24-23(26-28(19)21)25-17-6-8-18(9-7-17)27-12-14-30-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26)
InChIKeyWGISNQGRTXXQPY-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.99
Rot. Bonds5

About 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 57392473) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID57392473
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12
InChIInChI=1S/C23H23N5O2/c1-29-22-5-3-2-4-20(22)21-11-10-19-16-24-23(26-28(19)21)25-17-6-8-18(9-7-17)27-12-14-30-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26)
InChIKeyWGISNQGRTXXQPY-UHFFFAOYSA-N
XLogP3.99
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine 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 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 57392473) is 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12.
What is the InChIKey of 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is WGISNQGRTXXQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-22-5-3-2-4-20(22)21-11-10-19-16-24-23(26-28(19)21)25-17-6-8-18(9-7-17)27-12-14-30-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26).
What are the key properties of 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 57392473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).