3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid

C29H24N4O4 — CID 59335657

IUPAC3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C29H24N4O4/c34-28(26-18-33-17-23(8-11-27(33)31-26)22-12-14-30-15-13-22)32-25(29(35)36)16-20-6-9-24(10-7-20)37-19-21-4-2-1-3-5-21/h1-15,17-18,25H,16,19H2,(H,32,34)(H,35,36)
InChIKeyDYLPDJLIFXSMCB-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.40
Rot. Bonds9

About 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid

3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid (PubChem CID 59335657) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
PubChem CID59335657
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Name3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C29H24N4O4/c34-28(26-18-33-17-23(8-11-27(33)31-26)22-12-14-30-15-13-22)32-25(29(35)36)16-20-6-9-24(10-7-20)37-19-21-4-2-1-3-5-21/h1-15,17-18,25H,16,19H2,(H,32,34)(H,35,36)
InChIKeyDYLPDJLIFXSMCB-UHFFFAOYSA-N
XLogP4.40
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 68666283
2-[[6-[2-(4-methylphenyl)ethenyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 68667288
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
(2S)-2-[[(2S,3S)-3-[[(1S)-1-carboxy-2-(4-phenylmethoxyphenyl)ethyl]carbamoyl]oxirane-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 167484052
(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 54452131
methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate
CID 68667228
3-phenyl-2-[[6-[4-(pyridin-4-ylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629209
2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10278753
2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 72880150
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-8-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66912848

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid (CID 59335657) is 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid is O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is DYLPDJLIFXSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c34-28(26-18-33-17-23(8-11-27(33)31-26)22-12-14-30-15-13-22)32-25(29(35)36)16-20-6-9-24(10-7-20)37-19-21-4-2-1-3-5-21/h1-15,17-18,25H,16,19H2,(H,32,34)(H,35,36).
What are the key properties of 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 492.54 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 59335657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).