4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

C24H23FN4O — CID 3712088

IUPAC4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C24H23FN4O/c1-16-12-28(13-17(2)30-16)23-22-21(18-6-4-3-5-7-18)14-29(24(22)27-15-26-23)20-10-8-19(25)9-11-20/h3-11,14-17H,12-13H2,1-2H3
InChIKeyHFDQYYVFVKIRDR-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.84
Rot. Bonds3

About 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 3712088) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID3712088
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C24H23FN4O/c1-16-12-28(13-17(2)30-16)23-22-21(18-6-4-3-5-7-18)14-29(24(22)27-15-26-23)20-10-8-19(25)9-11-20/h3-11,14-17H,12-13H2,1-2H3
InChIKeyHFDQYYVFVKIRDR-UHFFFAOYSA-N
XLogP4.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 3712088) is 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is CC1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is HFDQYYVFVKIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-16-12-28(13-17(2)30-16)23-22-21(18-6-4-3-5-7-18)14-29(24(22)27-15-26-23)20-10-8-19(25)9-11-20/h3-11,14-17H,12-13H2,1-2H3.
What are the key properties of 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 402.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 3712088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).