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

C23H23FN6O2 — CID 15949083

IUPAC4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C(=O)NC
InChIInChI=1S/C23H23FN6O2/c1-4-30-13-16(12-18(30)20(31)26-2)23(21(32)29(3)22(25)28-23)15-8-5-7-14(11-15)17-9-6-10-27-19(17)24/h5-13H,4H2,1-3H3,(H2,25,28)(H,26,31)
InChIKeyGCADEHDLAAGYRQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.10
Rot. Bonds5

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

4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 15949083) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID15949083
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C(=O)NC
InChIInChI=1S/C23H23FN6O2/c1-4-30-13-16(12-18(30)20(31)26-2)23(21(32)29(3)22(25)28-23)15-8-5-7-14(11-15)17-9-6-10-27-19(17)24/h5-13H,4H2,1-3H3,(H2,25,28)(H,26,31)
InChIKeyGCADEHDLAAGYRQ-UHFFFAOYSA-N
XLogP2.10
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.10
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]-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide (CID 15949083) is 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C(=O)NC.
What is the InChIKey of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is GCADEHDLAAGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-4-30-13-16(12-18(30)20(31)26-2)23(21(32)29(3)22(25)28-23)15-8-5-7-14(11-15)17-9-6-10-27-19(17)24/h5-13H,4H2,1-3H3,(H2,25,28)(H,26,31).
What are the key properties of 4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide?
4-[2-amino-4-[3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.10, 5 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]-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 15949083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).