7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid

C74H75Cl2N9O8 — CID 158897990

About 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid

7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 158897990) has the molecular formula C74H75Cl2N9O8 and a molecular weight of 1289.37 g/mol. Its IUPAC name is 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid
• PubChem CID: 158897990
• Molecular Formula: C74H75Cl2N9O8
• Molecular Weight: 1289.37 g/mol
• Exact Mass: 1287.51
• IUPAC Name: 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid
• SMILES: Cc1cc(Cl)cc(C2CCN(CCCc3cc(C(=O)O)n4ccnc4c3)CC2)c1.Cc1cc(Cl)cc(C2CCN(Cc3ccc(Oc4cc(C(=O)O)n5ccnc5c4)cc3)CC2)c1.Cc1ccc(CN(C)Cc2ccc(Oc3cc(C(=O)O)n4ccnc4c3)cc2)cc1
• InChI: InChI=1S/C27H26ClN3O3.C24H23N3O3.C23H26ClN3O2/c1-18-12-21(14-22(28)13-18)20-6-9-30(10-7-20)17-19-2-4-23(5-3-19)34-24-15-25(27(32)33)31-11-8-29-26(31)16-24;1-17-3-5-18(6-4-17)15-26(2)16-19-7-9-20(10-8-19)30-21-13-22(24(28)29)27-12-11-25-23(27)14-21;1-16-11-19(15-20(24)12-16)18-4-8-26(9-5-18)7-2-3-17-13-21(23(28)29)27-10-6-25-22(27)14-17/h2-5,8,11-16,20H,6-7,9-10,17H2,1H3,(H,32,33);3-14H,15-16H2,1-2H3,(H,28,29);6,10-15,18H,2-5,7-9H2,1H3,(H,28,29)
• InChIKey: JFBRNCMYODUIHQ-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 191.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.37
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid?

The IUPAC name of 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 158897990) is 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid.

What is the SMILES notation for 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid?

The canonical SMILES for 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid is Cc1cc(Cl)cc(C2CCN(CCCc3cc(C(=O)O)n4ccnc4c3)CC2)c1.Cc1cc(Cl)cc(C2CCN(Cc3ccc(Oc4cc(C(=O)O)n5ccnc5c4)cc3)CC2)c1.Cc1ccc(CN(C)Cc2ccc(Oc3cc(C(=O)O)n4ccnc4c3)cc2)cc1.

What is the InChIKey of 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid?

The InChIKey is JFBRNCMYODUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3.C24H23N3O3.C23H26ClN3O2/c1-18-12-21(14-22(28)13-18)20-6-9-30(10-7-20)17-19-2-4-23(5-3-19)34-24-15-25(27(32)33)31-11-8-29-26(31)16-24;1-17-3-5-18(6-4-17)15-26(2)16-19-7-9-20(10-8-19)30-21-13-22(24(28)29)27-12-11-25-23(27)14-21;1-16-11-19(15-20(24)12-16)18-4-8-26(9-5-18)7-2-3-17-13-21(23(28)29)27-10-6-25-22(27)14-17/h2-5,8,11-16,20H,6-7,9-10,17H2,1H3,(H,32,33);3-14H,15-16H2,1-2H3,(H,28,29);6,10-15,18H,2-5,7-9H2,1H3,(H,28,29).

What are the key properties of 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid?

7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 1289.37 g/mol, XLogP of 15.74, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[3-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 158897990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).