2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid

C18H14FN3O2 — CID 90407530

IUPAC2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(C3CCc4c(F)cccc43)cn2)c1
InChIInChI=1S/C18H14FN3O2/c19-14-3-1-2-13-12(14)4-5-17(13)22-9-16(21-10-22)15-8-11(18(23)24)6-7-20-15/h1-3,6-10,17H,4-5H2,(H,23,24)
InChIKeyVTBZXRRFAQZNQE-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407530) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407530
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(C3CCc4c(F)cccc43)cn2)c1
InChIInChI=1S/C18H14FN3O2/c19-14-3-1-2-13-12(14)4-5-17(13)22-9-16(21-10-22)15-8-11(18(23)24)6-7-20-15/h1-3,6-10,17H,4-5H2,(H,23,24)
InChIKeyVTBZXRRFAQZNQE-UHFFFAOYSA-N
XLogP3.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407530) is 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(C3CCc4c(F)cccc43)cn2)c1.
What is the InChIKey of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is VTBZXRRFAQZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-3-1-2-13-12(14)4-5-17(13)22-9-16(21-10-22)15-8-11(18(23)24)6-7-20-15/h1-3,6-10,17H,4-5H2,(H,23,24).
What are the key properties of 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 323.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).