7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C23H21ClFN5O2 — CID 66711710

IUPAC7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Cl)cc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)c(F)c3)nn12
InChIInChI=1S/C23H21ClFN5O2/c1-31-22-7-2-15(24)12-18(22)20-6-4-17-14-26-23(28-30(17)20)27-16-3-5-21(19(25)13-16)29-8-10-32-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,27,28)
InChIKeyMYBQWMJTESZNPX-UHFFFAOYSA-N
MW453.91 g/mol
LogP4.78
Rot. Bonds5

About 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 66711710) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID66711710
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC Name7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Cl)cc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)c(F)c3)nn12
InChIInChI=1S/C23H21ClFN5O2/c1-31-22-7-2-15(24)12-18(22)20-6-4-17-14-26-23(28-30(17)20)27-16-3-5-21(19(25)13-16)29-8-10-32-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,27,28)
InChIKeyMYBQWMJTESZNPX-UHFFFAOYSA-N
XLogP4.78
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 54.78
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-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-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-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 66711710) is 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1ccc(Cl)cc1-c1ccc2cnc(Nc3ccc(N4CCOCC4)c(F)c3)nn12.
What is the InChIKey of 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is MYBQWMJTESZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c1-31-22-7-2-15(24)12-18(22)20-6-4-17-14-26-23(28-30(17)20)27-16-3-5-21(19(25)13-16)29-8-10-32-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,27,28).
What are the key properties of 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 453.91 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 66711710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).