(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone

C27H20F2N4O — CID 24990690

IUPAC(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
SMILESCC(Nc1ncc2cc(C(=O)c3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1)c1ccccc1
InChIInChI=1S/C27H20F2N4O/c1-17(18-5-3-2-4-6-18)31-27-30-16-20-15-24(25(34)19-7-9-21(28)10-8-19)33(26(20)32-27)23-13-11-22(29)12-14-23/h2-17H,1H3,(H,30,31,32)
InChIKeyWDPMPTLSYBKORE-UHFFFAOYSA-N
MW454.48 g/mol
LogP6.10
Rot. Bonds6

About (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone

(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone (PubChem CID 24990690) has the molecular formula C27H20F2N4O and a molecular weight of 454.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
PubChem CID24990690
Molecular FormulaC27H20F2N4O
Molecular Weight454.48 g/mol
Exact Mass454.16
IUPAC Name(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
SMILESCC(Nc1ncc2cc(C(=O)c3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1)c1ccccc1
InChIInChI=1S/C27H20F2N4O/c1-17(18-5-3-2-4-6-18)31-27-30-16-20-15-24(25(34)19-7-9-21(28)10-8-19)33(26(20)32-27)23-13-11-22(29)12-14-23/h2-17H,1H3,(H,30,31,32)
InChIKeyWDPMPTLSYBKORE-UHFFFAOYSA-N
XLogP6.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone 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 (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone (CID 24990690) is (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone is CC(Nc1ncc2cc(C(=O)c3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
The InChIKey is WDPMPTLSYBKORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O/c1-17(18-5-3-2-4-6-18)31-27-30-16-20-15-24(25(34)19-7-9-21(28)10-8-19)33(26(20)32-27)23-13-11-22(29)12-14-23/h2-17H,1H3,(H,30,31,32).
What are the key properties of (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone?
(4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone has a molecular weight of 454.48 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[7-(4-fluorophenyl)-2-(1-phenylethylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 24990690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).