7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one

C21H23FN4O3 — CID 46324101

IUPAC7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N3CCOCC3)c(=O)c12
InChIInChI=1S/C21H23FN4O3/c1-14-15(2)26(17-5-3-4-16(22)12-17)20-19(14)21(28)25(13-23-20)7-6-18(27)24-8-10-29-11-9-24/h3-5,12-13H,6-11H2,1-2H3
InChIKeyDLQSCOOYLJQYTG-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.19
Rot. Bonds4

About 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one

7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 46324101) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID46324101
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N3CCOCC3)c(=O)c12
InChIInChI=1S/C21H23FN4O3/c1-14-15(2)26(17-5-3-4-16(22)12-17)20-19(14)21(28)25(13-23-20)7-6-18(27)24-8-10-29-11-9-24/h3-5,12-13H,6-11H2,1-2H3
InChIKeyDLQSCOOYLJQYTG-UHFFFAOYSA-N
XLogP2.19
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one 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-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 46324101) is 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one is Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N3CCOCC3)c(=O)c12.
What is the InChIKey of 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is DLQSCOOYLJQYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-14-15(2)26(17-5-3-4-16(22)12-17)20-19(14)21(28)25(13-23-20)7-6-18(27)24-8-10-29-11-9-24/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 398.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46324101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).