5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H17FN4O3 — CID 121017673

IUPAC5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3ccc(=O)[nH]c3)C2)c1F
InChIInChI=1S/C16H17FN4O3/c1-2-12-14(17)15(20-9-19-12)24-11-5-6-21(8-11)16(23)10-3-4-13(22)18-7-10/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,18,22)
InChIKeyDXCXNJVWWIPUTD-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.16
Rot. Bonds4

About 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121017673) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID121017673
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3ccc(=O)[nH]c3)C2)c1F
InChIInChI=1S/C16H17FN4O3/c1-2-12-14(17)15(20-9-19-12)24-11-5-6-21(8-11)16(23)10-3-4-13(22)18-7-10/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,18,22)
InChIKeyDXCXNJVWWIPUTD-UHFFFAOYSA-N
XLogP1.16
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-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 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 121017673) is 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCc1ncnc(OC2CCN(C(=O)c3ccc(=O)[nH]c3)C2)c1F.
What is the InChIKey of 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DXCXNJVWWIPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-2-12-14(17)15(20-9-19-12)24-11-5-6-21(8-11)16(23)10-3-4-13(22)18-7-10/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,18,22).
What are the key properties of 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 332.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).