2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid

C26H23FN4O4 — CID 44518767

IUPAC2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(CC(=O)O)cc4)cccc3n2)ccc1F
InChIInChI=1S/C26H23FN4O4/c1-16-11-19(9-10-20(16)27)14-28-25(34)21-15-31-22(3-2-4-23(31)30-21)26(35)29-13-18-7-5-17(6-8-18)12-24(32)33/h2-11,15H,12-14H2,1H3,(H,28,34)(H,29,35)(H,32,33)
InChIKeyOSXNNKRPKBRHLM-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.27
Rot. Bonds8

About 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid

2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid (PubChem CID 44518767) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid
PubChem CID44518767
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(CC(=O)O)cc4)cccc3n2)ccc1F
InChIInChI=1S/C26H23FN4O4/c1-16-11-19(9-10-20(16)27)14-28-25(34)21-15-31-22(3-2-4-23(31)30-21)26(35)29-13-18-7-5-17(6-8-18)12-24(32)33/h2-11,15H,12-14H2,1H3,(H,28,34)(H,29,35)(H,32,33)
InChIKeyOSXNNKRPKBRHLM-UHFFFAOYSA-N
XLogP3.27
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid (CID 44518767) is 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid is Cc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(CC(=O)O)cc4)cccc3n2)ccc1F.
What is the InChIKey of 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid?
The InChIKey is OSXNNKRPKBRHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-16-11-19(9-10-20(16)27)14-28-25(34)21-15-31-22(3-2-4-23(31)30-21)26(35)29-13-18-7-5-17(6-8-18)12-24(32)33/h2-11,15H,12-14H2,1H3,(H,28,34)(H,29,35)(H,32,33).
What are the key properties of 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid?
2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid has a molecular weight of 474.49 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 44518767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).