7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C25H25FN4O4 — CID 138555808

IUPAC7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccc(OCC(O)CN3CCOCC3)cc1)cn2-c1cccc(F)c1
InChIInChI=1S/C25H25FN4O4/c26-18-2-1-3-19(12-18)30-14-22(23-24(30)27-16-28-25(23)32)17-4-6-21(7-5-17)34-15-20(31)13-29-8-10-33-11-9-29/h1-7,12,14,16,20,31H,8-11,13,15H2,(H,27,28,32)
InChIKeyZVWGQAYEIYSHIY-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.59
Rot. Bonds7

About 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 138555808) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID138555808
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccc(OCC(O)CN3CCOCC3)cc1)cn2-c1cccc(F)c1
InChIInChI=1S/C25H25FN4O4/c26-18-2-1-3-19(12-18)30-14-22(23-24(30)27-16-28-25(23)32)17-4-6-21(7-5-17)34-15-20(31)13-29-8-10-33-11-9-29/h1-7,12,14,16,20,31H,8-11,13,15H2,(H,27,28,32)
InChIKeyZVWGQAYEIYSHIY-UHFFFAOYSA-N
XLogP2.59
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 138555808) is 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccc(OCC(O)CN3CCOCC3)cc1)cn2-c1cccc(F)c1.
What is the InChIKey of 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ZVWGQAYEIYSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c26-18-2-1-3-19(12-18)30-14-22(23-24(30)27-16-28-25(23)32)17-4-6-21(7-5-17)34-15-20(31)13-29-8-10-33-11-9-29/h1-7,12,14,16,20,31H,8-11,13,15H2,(H,27,28,32).
What are the key properties of 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 464.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138555808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).