methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

C31H26ClN3O4 — CID 68666283

IUPACmethyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C31H26ClN3O4/c1-38-31(37)27(17-21-7-14-26(15-8-21)39-20-22-5-3-2-4-6-22)34-30(36)28-19-35-18-24(11-16-29(35)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,36)
InChIKeyNORUAENGXRWSCE-UHFFFAOYSA-N
MW540.02 g/mol
LogP5.75
Rot. Bonds9

About methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 68666283) has the molecular formula C31H26ClN3O4 and a molecular weight of 540.02 g/mol. Its IUPAC name is methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID68666283
Molecular FormulaC31H26ClN3O4
Molecular Weight540.02 g/mol
Exact Mass539.16
IUPAC Namemethyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C31H26ClN3O4/c1-38-31(37)27(17-21-7-14-26(15-8-21)39-20-22-5-3-2-4-6-22)34-30(36)28-19-35-18-24(11-16-29(35)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,36)
InChIKeyNORUAENGXRWSCE-UHFFFAOYSA-N
XLogP5.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.02
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate with MolForge

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Related Compounds

3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 59335657
methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate
CID 68667228
2-[[6-[2-(4-methylphenyl)ethenyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 68667288
methyl (2S)-2-[[6-(4-chlorophenyl)-1-benzofuran-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 68666467
methyl (2S)-2-[[5-(4-chlorophenyl)-1-benzothiophene-2-carbonyl]amino]-3-[4-[(4-fluorophenyl)methoxy]phenyl]propanoate
CID 68667835
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 58748843
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
methyl (2S)-2-[[6-(4-chlorophenyl)-1-benzofuran-2-carbonyl]amino]-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 68666576
methyl (2S)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68666555
methyl 2-[[5-(4-chlorophenyl)-1-benzothiophene-2-carbonyl]amino]-3-[4-[[3-(furan-2-yl)phenyl]methoxy]phenyl]propanoate
CID 68667298

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate (CID 68666283) is methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate is COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is NORUAENGXRWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O4/c1-38-31(37)27(17-21-7-14-26(15-8-21)39-20-22-5-3-2-4-6-22)34-30(36)28-19-35-18-24(11-16-29(35)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,36).
What are the key properties of methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 540.02 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 68666283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).