7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C26H21FN4O — CID 3544873

IUPAC7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(F)c4)ncnc32)cc1
InChIInChI=1S/C26H21FN4O/c1-2-32-22-13-11-21(12-14-22)31-16-23(18-7-4-3-5-8-18)24-25(28-17-29-26(24)31)30-20-10-6-9-19(27)15-20/h3-17H,2H2,1H3,(H,28,29,30)
InChIKeyVGZVSRJMIBESRS-UHFFFAOYSA-N
MW424.48 g/mol
LogP6.37
Rot. Bonds6

About 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3544873) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3544873
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(F)c4)ncnc32)cc1
InChIInChI=1S/C26H21FN4O/c1-2-32-22-13-11-21(12-14-22)31-16-23(18-7-4-3-5-8-18)24-25(28-17-29-26(24)31)30-20-10-6-9-19(27)15-20/h3-17H,2H2,1H3,(H,28,29,30)
InChIKeyVGZVSRJMIBESRS-UHFFFAOYSA-N
XLogP6.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-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-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3544873) is 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(F)c4)ncnc32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VGZVSRJMIBESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c1-2-32-22-13-11-21(12-14-22)31-16-23(18-7-4-3-5-8-18)24-25(28-17-29-26(24)31)30-20-10-6-9-19(27)15-20/h3-17H,2H2,1H3,(H,28,29,30).
What are the key properties of 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 424.48 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-N-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3544873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).