4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide

C24H24FN7O3 — CID 25218604

IUPAC4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1
InChIInChI=1S/C24H24FN7O3/c1-34-20-13-15(32-8-10-35-11-9-32)3-5-18(20)29-24-30-22-17(6-7-27-22)23(31-24)28-19-12-14(25)2-4-16(19)21(26)33/h2-7,12-13H,8-11H2,1H3,(H2,26,33)(H3,27,28,29,30,31)
InChIKeyZUAFVNZJLXRJRZ-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.53
Rot. Bonds7

About 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide

4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide (PubChem CID 25218604) has the molecular formula C24H24FN7O3 and a molecular weight of 477.50 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
PubChem CID25218604
Molecular FormulaC24H24FN7O3
Molecular Weight477.50 g/mol
Exact Mass477.19
IUPAC Name4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1
InChIInChI=1S/C24H24FN7O3/c1-34-20-13-15(32-8-10-35-11-9-32)3-5-18(20)29-24-30-22-17(6-7-27-22)23(31-24)28-19-12-14(25)2-4-16(19)21(26)33/h2-7,12-13H,8-11H2,1H3,(H2,26,33)(H3,27,28,29,30,31)
InChIKeyZUAFVNZJLXRJRZ-UHFFFAOYSA-N
XLogP3.53
TPSA130.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide 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-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide (CID 25218604) is 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide is COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1.
What is the InChIKey of 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?
The InChIKey is ZUAFVNZJLXRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O3/c1-34-20-13-15(32-8-10-35-11-9-32)3-5-18(20)29-24-30-22-17(6-7-27-22)23(31-24)28-19-12-14(25)2-4-16(19)21(26)33/h2-7,12-13H,8-11H2,1H3,(H2,26,33)(H3,27,28,29,30,31).
What are the key properties of 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?
4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide has a molecular weight of 477.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 25218604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).