2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate

C59H57Cl6N9O10 — CID 158197539

IUPAC2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate
SMILESCN(CCC(=O)O)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.CNCCC(=O)OC.COC(=O)CCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C20H19Cl2N3O3.C19H17Cl2N3O3.C15H10Cl2N2O2.C5H11NO2/c1-24(10-9-19(27)28-2)18(26)11-16-20(13-3-5-14(21)6-4-13)23-17-8-7-15(22)12-25(16)17;1-23(9-8-18(26)27)17(25)10-15-19(12-2-4-13(20)5-3-12)22-16-7-6-14(21)11-24(15)16;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-6-4-3-5(7)8-2/h3-8,12H,9-11H2,1-2H3;2-7,11H,8-10H2,1H3,(H,26,27);1-6,8H,7H2,(H,20,21);6H,3-4H2,1-2H3
InChIKeyGANFAKLCLQLFOA-UHFFFAOYSA-N
MW1264.88 g/mol
LogP11.36
Rot. Bonds18

About 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate

2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate (PubChem CID 158197539) has the molecular formula C59H57Cl6N9O10 and a molecular weight of 1264.88 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate
PubChem CID158197539
Molecular FormulaC59H57Cl6N9O10
Molecular Weight1264.88 g/mol
Exact Mass1261.24
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate
SMILESCN(CCC(=O)O)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.CNCCC(=O)OC.COC(=O)CCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C20H19Cl2N3O3.C19H17Cl2N3O3.C15H10Cl2N2O2.C5H11NO2/c1-24(10-9-19(27)28-2)18(26)11-16-20(13-3-5-14(21)6-4-13)23-17-8-7-15(22)12-25(16)17;1-23(9-8-18(26)27)17(25)10-15-19(12-2-4-13(20)5-3-12)22-16-7-6-14(21)11-24(15)16;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-6-4-3-5(7)8-2/h3-8,12H,9-11H2,1-2H3;2-7,11H,8-10H2,1H3,(H,26,27);1-6,8H,7H2,(H,20,21);6H,3-4H2,1-2H3
InChIKeyGANFAKLCLQLFOA-UHFFFAOYSA-N
XLogP11.36
TPSA231.75 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.88
LogP ≤ 511.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate with MolForge

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Related Compounds

2-(2-chlorophenyl)acetic acid;bis(2-(2-chlorophenyl)-1-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone);1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine;hydrochloride
CID 157259541
2-[7-Chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid;methyl 2-[5-[(4-aminophenyl)methyl]-7-chloroimidazo[1,2-c]pyrimidin-8-yl]acetate;methyl 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate
CID 160801962
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-imidazo[1,2-a]pyridin-3-ylacetamide
CID 67645293
2-[5-[[2-(4-Chlorophenyl)-4-methylpentyl]carbamoyl]imidazo[1,2-a]pyridin-2-yl]-3-pyridin-2-ylpropanoic acid
CID 89528582
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide
CID 117689129
5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one
CID 145424767
5-[2-[(1R)-1-[[(1S)-1-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]butyl]amino]ethyl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one
CID 156281482
carbanide;N,N-dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;ethane;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetonitrile;tetrakis(yttrium)
CID 157455337
3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 157462016
Bis(carbon dioxide);4-chlorobenzaldehyde;bis(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;5-chloropyridin-2-amine;ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate;ethyl prop-2-ynoate;methane;1-propylpiperazine;hydrochloride
CID 157629827
carbon dioxide;2-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]ethyl formate;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 157708544
carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-propylacetamide;methane;methyl pentanoate
CID 157917028

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate (CID 158197539) is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate is CN(CCC(=O)O)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.CNCCC(=O)OC.COC(=O)CCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate?
The InChIKey is GANFAKLCLQLFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3.C19H17Cl2N3O3.C15H10Cl2N2O2.C5H11NO2/c1-24(10-9-19(27)28-2)18(26)11-16-20(13-3-5-14(21)6-4-13)23-17-8-7-15(22)12-25(16)17;1-23(9-8-18(26)27)17(25)10-15-19(12-2-4-13(20)5-3-12)22-16-7-6-14(21)11-24(15)16;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-6-4-3-5(7)8-2/h3-8,12H,9-11H2,1-2H3;2-7,11H,8-10H2,1H3,(H,26,27);1-6,8H,7H2,(H,20,21);6H,3-4H2,1-2H3.
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate?
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate has a molecular weight of 1264.88 g/mol, XLogP of 11.36, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;methyl 3-[[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoate;methyl 3-(methylamino)propanoate is sourced from PubChem (CID 158197539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).