3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C118H139Cl5N18O10 — CID 167601525

IUPAC3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCCN(CCC(=O)O)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCCCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCOCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.Cc1ccc(-c2nc3ccc(Cl)cn3c2CC(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C26H33ClN4O.C25H31ClN4O2.C25H31ClN4O.C22H24ClN3O3.C20H20ClN3O3/c1-3-13-30(17-16-29-14-5-4-6-15-29)25(32)18-23-26(21-9-7-20(2)8-10-21)28-24-12-11-22(27)19-31(23)24;1-3-10-29(12-11-28-13-15-32-16-14-28)24(31)17-22-25(20-6-4-19(2)5-7-20)27-23-9-8-21(26)18-30(22)23;1-3-12-29(16-15-28-13-4-5-14-28)24(31)17-22-25(20-8-6-19(2)7-9-20)27-23-11-10-21(26)18-30(22)23;1-3-11-25(12-10-21(28)29)20(27)13-18-22(16-6-4-15(2)5-7-16)24-19-9-8-17(23)14-26(18)19;1-13-3-5-14(6-4-13)20-16(11-18(25)23(2)10-9-19(26)27)24-12-15(21)7-8-17(24)22-20/h7-12,19H,3-6,13-18H2,1-2H3;4-9,18H,3,10-17H2,1-2H3;6-11,18H,3-5,12-17H2,1-2H3;4-9,14H,3,10-13H2,1-2H3,(H,28,29);3-8,12H,9-11H2,1-2H3,(H,26,27)
InChIKeyJUMDPDSCBNXRSE-UHFFFAOYSA-N
MW2146.79 g/mol
LogP21.80
Rot. Bonds38

About 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide

3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 167601525) has the molecular formula C118H139Cl5N18O10 and a molecular weight of 2146.79 g/mol. Its IUPAC name is 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID167601525
Molecular FormulaC118H139Cl5N18O10
Molecular Weight2146.79 g/mol
Exact Mass2142.94
IUPAC Name3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCCN(CCC(=O)O)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCCCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCOCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.Cc1ccc(-c2nc3ccc(Cl)cn3c2CC(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C26H33ClN4O.C25H31ClN4O2.C25H31ClN4O.C22H24ClN3O3.C20H20ClN3O3/c1-3-13-30(17-16-29-14-5-4-6-15-29)25(32)18-23-26(21-9-7-20(2)8-10-21)28-24-12-11-22(27)19-31(23)24;1-3-10-29(12-11-28-13-15-32-16-14-28)24(31)17-22-25(20-6-4-19(2)5-7-20)27-23-9-8-21(26)18-30(22)23;1-3-12-29(16-15-28-13-4-5-14-28)24(31)17-22-25(20-8-6-19(2)7-9-20)27-23-11-10-21(26)18-30(22)23;1-3-11-25(12-10-21(28)29)20(27)13-18-22(16-6-4-15(2)5-7-16)24-19-9-8-17(23)14-26(18)19;1-13-3-5-14(6-4-13)20-16(11-18(25)23(2)10-9-19(26)27)24-12-15(21)7-8-17(24)22-20/h7-12,19H,3-6,13-18H2,1-2H3;4-9,18H,3,10-17H2,1-2H3;6-11,18H,3-5,12-17H2,1-2H3;4-9,14H,3,10-13H2,1-2H3,(H,28,29);3-8,12H,9-11H2,1-2H3,(H,26,27)
InChIKeyJUMDPDSCBNXRSE-UHFFFAOYSA-N
XLogP21.80
TPSA281.60 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds38
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.79
LogP ≤ 521.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 167601525) is 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CCCN(CCC(=O)O)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCCCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.CCCN(CCN1CCOCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12.Cc1ccc(-c2nc3ccc(Cl)cn3c2CC(=O)N(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is JUMDPDSCBNXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O.C25H31ClN4O2.C25H31ClN4O.C22H24ClN3O3.C20H20ClN3O3/c1-3-13-30(17-16-29-14-5-4-6-15-29)25(32)18-23-26(21-9-7-20(2)8-10-21)28-24-12-11-22(27)19-31(23)24;1-3-10-29(12-11-28-13-15-32-16-14-28)24(31)17-22-25(20-6-4-19(2)5-7-20)27-23-9-8-21(26)18-30(22)23;1-3-12-29(16-15-28-13-4-5-14-28)24(31)17-22-25(20-8-6-19(2)7-9-20)27-23-11-10-21(26)18-30(22)23;1-3-11-25(12-10-21(28)29)20(27)13-18-22(16-6-4-15(2)5-7-16)24-19-9-8-17(23)14-26(18)19;1-13-3-5-14(6-4-13)20-16(11-18(25)23(2)10-9-19(26)27)24-12-15(21)7-8-17(24)22-20/h7-12,19H,3-6,13-18H2,1-2H3;4-9,18H,3,10-17H2,1-2H3;6-11,18H,3-5,12-17H2,1-2H3;4-9,14H,3,10-13H2,1-2H3,(H,28,29);3-8,12H,9-11H2,1-2H3,(H,26,27).
What are the key properties of 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 2146.79 g/mol, XLogP of 21.80, 38 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-methylamino]propanoic acid;3-[[2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]-propylamino]propanoic acid;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)-N-propylacetamide;2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 167601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).