2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C24H24FN5O2 — CID 15948982

IUPAC2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C24H24FN5O2/c1-4-20(31)19-13-17(14-30(19)5-2)24(22(32)29(3)23(26)28-24)16-9-6-8-15(12-16)18-10-7-11-27-21(18)25/h6-14H,4-5H2,1-3H3,(H2,26,28)
InChIKeyDNBUICFZUVTXNE-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.33
Rot. Bonds6

About 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 15948982) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID15948982
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCCC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C24H24FN5O2/c1-4-20(31)19-13-17(14-30(19)5-2)24(22(32)29(3)23(26)28-24)16-9-6-8-15(12-16)18-10-7-11-27-21(18)25/h6-14H,4-5H2,1-3H3,(H2,26,28)
InChIKeyDNBUICFZUVTXNE-UHFFFAOYSA-N
XLogP3.33
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 15948982) is 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is CCC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC.
What is the InChIKey of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is DNBUICFZUVTXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-4-20(31)19-13-17(14-30(19)5-2)24(22(32)29(3)23(26)28-24)16-9-6-8-15(12-16)18-10-7-11-27-21(18)25/h6-14H,4-5H2,1-3H3,(H2,26,28).
What are the key properties of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 433.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 15948982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).