1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide

C20H19FN6O2 — CID 71808221

IUPAC1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCn1ccnc1-c1ncccn1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN6O2/c21-15-2-4-16(5-3-15)27-13-14(12-17(27)28)20(29)25-9-11-26-10-8-24-19(26)18-22-6-1-7-23-18/h1-8,10,14H,9,11-13H2,(H,25,29)
InChIKeySVEOPZHPWDNTLT-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.65
Rot. Bonds6

About 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 71808221) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID71808221
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCn1ccnc1-c1ncccn1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN6O2/c21-15-2-4-16(5-3-15)27-13-14(12-17(27)28)20(29)25-9-11-26-10-8-24-19(26)18-22-6-1-7-23-18/h1-8,10,14H,9,11-13H2,(H,25,29)
InChIKeySVEOPZHPWDNTLT-UHFFFAOYSA-N
XLogP1.65
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 71808221) is 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCn1ccnc1-c1ncccn1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SVEOPZHPWDNTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-15-2-4-16(5-3-15)27-13-14(12-17(27)28)20(29)25-9-11-26-10-8-24-19(26)18-22-6-1-7-23-18/h1-8,10,14H,9,11-13H2,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).