4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide

C24H25FN6O2 — CID 15949084

IUPAC4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide
SMILESCCNC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C24H25FN6O2/c1-4-27-21(32)19-13-17(14-31(19)5-2)24(22(33)30(3)23(26)29-24)16-9-6-8-15(12-16)18-10-7-11-28-20(18)25/h6-14H,4-5H2,1-3H3,(H2,26,29)(H,27,32)
InChIKeyJVNYURPUTKHQGO-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.49
Rot. Bonds6

About 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide

4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide (PubChem CID 15949084) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide
PubChem CID15949084
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide
SMILESCCNC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C24H25FN6O2/c1-4-27-21(32)19-13-17(14-31(19)5-2)24(22(33)30(3)23(26)29-24)16-9-6-8-15(12-16)18-10-7-11-28-20(18)25/h6-14H,4-5H2,1-3H3,(H2,26,29)(H,27,32)
InChIKeyJVNYURPUTKHQGO-UHFFFAOYSA-N
XLogP2.49
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
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 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide (CID 15949084) is 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide is CCNC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC.
What is the InChIKey of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide?
The InChIKey is JVNYURPUTKHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-4-27-21(32)19-13-17(14-31(19)5-2)24(22(33)30(3)23(26)29-24)16-9-6-8-15(12-16)18-10-7-11-28-20(18)25/h6-14H,4-5H2,1-3H3,(H2,26,29)(H,27,32).
What are the key properties of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide?
4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N,1-diethylpyrrole-2-carboxamide is sourced from PubChem (CID 15949084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).