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

C26H29FN6O2 — CID 15949086

IUPAC4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide
SMILESCCCCNC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C26H29FN6O2/c1-4-6-12-30-23(34)21-15-19(16-33(21)5-2)26(24(35)32(3)25(28)31-26)18-10-7-9-17(14-18)20-11-8-13-29-22(20)27/h7-11,13-16H,4-6,12H2,1-3H3,(H2,28,31)(H,30,34)
InChIKeyJQAGOVKUVURPEY-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.27
Rot. Bonds8

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

4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide (PubChem CID 15949086) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide
PubChem CID15949086
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide
SMILESCCCCNC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C26H29FN6O2/c1-4-6-12-30-23(34)21-15-19(16-33(21)5-2)26(24(35)32(3)25(28)31-26)18-10-7-9-17(14-18)20-11-8-13-29-22(20)27/h7-11,13-16H,4-6,12H2,1-3H3,(H2,28,31)(H,30,34)
InChIKeyJQAGOVKUVURPEY-UHFFFAOYSA-N
XLogP3.27
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide 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 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide (CID 15949086) is 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-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-butyl-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide is CCCCNC(=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-butyl-1-ethylpyrrole-2-carboxamide?
The InChIKey is JQAGOVKUVURPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-4-6-12-30-23(34)21-15-19(16-33(21)5-2)26(24(35)32(3)25(28)31-26)18-10-7-9-17(14-18)20-11-8-13-29-22(20)27/h7-11,13-16H,4-6,12H2,1-3H3,(H2,28,31)(H,30,34).
What are the key properties of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide?
4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-N-butyl-1-ethylpyrrole-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.27, 8 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-butyl-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 15949086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).