methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate

C33H30ClN3O4 — CID 68667228

IUPACmethyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate
SMILESCCc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)OC)cc2)cc1
InChIInChI=1S/C33H30ClN3O4/c1-3-22-4-6-24(7-5-22)21-41-28-14-8-23(9-15-28)18-29(33(39)40-2)36-32(38)30-20-37-17-16-26(19-31(37)35-30)25-10-12-27(34)13-11-25/h4-17,19-20,29H,3,18,21H2,1-2H3,(H,36,38)
InChIKeyOCZZTCDYMXHLMC-UHFFFAOYSA-N
MW568.07 g/mol
LogP6.31
Rot. Bonds10

About methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate

methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate (PubChem CID 68667228) has the molecular formula C33H30ClN3O4 and a molecular weight of 568.07 g/mol. Its IUPAC name is methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate
PubChem CID68667228
Molecular FormulaC33H30ClN3O4
Molecular Weight568.07 g/mol
Exact Mass567.19
IUPAC Namemethyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate
SMILESCCc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)OC)cc2)cc1
InChIInChI=1S/C33H30ClN3O4/c1-3-22-4-6-24(7-5-22)21-41-28-14-8-23(9-15-28)18-29(33(39)40-2)36-32(38)30-20-37-17-16-26(19-31(37)35-30)25-10-12-27(34)13-11-25/h4-17,19-20,29H,3,18,21H2,1-2H3,(H,36,38)
InChIKeyOCZZTCDYMXHLMC-UHFFFAOYSA-N
XLogP6.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.07
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate 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
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 (2S)-2-[[5-(4-chlorophenyl)-1-benzofuran-2-carbonyl]amino]-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate
CID 68667778
methyl (2S)-2-[[6-(4-chlorophenyl)-1-benzofuran-2-carbonyl]amino]-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 68666576
3-(4-phenylmethoxyphenyl)-2-[(6-pyridin-4-ylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 59335657
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
methyl 2-[[5-(3-chloro-4-fluorophenyl)-2-hydroxybenzoyl]amino]-3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoate
CID 69208822
2-[[6-[2-(4-methylphenyl)ethenyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 68667288
methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 58748843
methyl (2S)-2-[(2-amino-5-chlorobenzoyl)amino]-3-[4-(3-hydroxyphenyl)phenyl]propanoate
CID 68866789

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate (CID 68667228) is methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate is CCc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate?
The InChIKey is OCZZTCDYMXHLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN3O4/c1-3-22-4-6-24(7-5-22)21-41-28-14-8-23(9-15-28)18-29(33(39)40-2)36-32(38)30-20-37-17-16-26(19-31(37)35-30)25-10-12-27(34)13-11-25/h4-17,19-20,29H,3,18,21H2,1-2H3,(H,36,38).
What are the key properties of methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate?
methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate has a molecular weight of 568.07 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-[4-[(4-ethylphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 68667228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).