2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C19H17FN4O2 — CID 86269083

IUPAC2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCN3CCc4cc(F)ccc43)cn2)c1
InChIInChI=1S/C19H17FN4O2/c20-15-1-2-18-13(9-15)4-6-24(18)8-7-23-11-17(22-12-23)16-10-14(19(25)26)3-5-21-16/h1-3,5,9-12H,4,6-8H2,(H,25,26)
InChIKeyVBYNYZPZKXJUEM-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269083) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269083
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCN3CCc4cc(F)ccc43)cn2)c1
InChIInChI=1S/C19H17FN4O2/c20-15-1-2-18-13(9-15)4-6-24(18)8-7-23-11-17(22-12-23)16-10-14(19(25)26)3-5-21-16/h1-3,5,9-12H,4,6-8H2,(H,25,26)
InChIKeyVBYNYZPZKXJUEM-UHFFFAOYSA-N
XLogP2.85
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 86269083) is 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(CCN3CCc4cc(F)ccc43)cn2)c1.
What is the InChIKey of 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is VBYNYZPZKXJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-1-2-18-13(9-15)4-6-24(18)8-7-23-11-17(22-12-23)16-10-14(19(25)26)3-5-21-16/h1-3,5,9-12H,4,6-8H2,(H,25,26).
What are the key properties of 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).