4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

C24H19FN4O4 — CID 69084684

IUPAC4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C24H19FN4O4/c25-18-10-6-16(7-11-18)12-26-22(30)19-14-29-20(2-1-3-21(29)28-19)23(31)27-13-15-4-8-17(9-5-15)24(32)33/h1-11,14H,12-13H2,(H,26,30)(H,27,31)(H,32,33)
InChIKeyJCIDBGWRYPOVAN-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.03
Rot. Bonds7

About 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (PubChem CID 69084684) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
PubChem CID69084684
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C24H19FN4O4/c25-18-10-6-16(7-11-18)12-26-22(30)19-14-29-20(2-1-3-21(29)28-19)23(31)27-13-15-4-8-17(9-5-15)24(32)33/h1-11,14H,12-13H2,(H,26,30)(H,27,31)(H,32,33)
InChIKeyJCIDBGWRYPOVAN-UHFFFAOYSA-N
XLogP3.03
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (CID 69084684) is 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc3nc(C(=O)NCc4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The InChIKey is JCIDBGWRYPOVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-18-10-6-16(7-11-18)12-26-22(30)19-14-29-20(2-1-3-21(29)28-19)23(31)27-13-15-4-8-17(9-5-15)24(32)33/h1-11,14H,12-13H2,(H,26,30)(H,27,31)(H,32,33).
What are the key properties of 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid has a molecular weight of 446.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 69084684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).