2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid

C26H29N5O3 — CID 126627219

IUPAC2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid
SMILESCc1cc2nc(-c3nc(Cc4ccccc4)no3)cn2c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C26H29N5O3/c1-17-13-22-27-20(24-28-21(29-34-24)14-18-7-5-4-6-8-18)16-31(22)25(19(17)15-23(32)33)30-11-9-26(2,3)10-12-30/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,32,33)
InChIKeyBFXLFQGLGOIELF-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.54
Rot. Bonds6

About 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid

2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid (PubChem CID 126627219) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid
PubChem CID126627219
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid
SMILESCc1cc2nc(-c3nc(Cc4ccccc4)no3)cn2c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C26H29N5O3/c1-17-13-22-27-20(24-28-21(29-34-24)14-18-7-5-4-6-8-18)16-31(22)25(19(17)15-23(32)33)30-11-9-26(2,3)10-12-30/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,32,33)
InChIKeyBFXLFQGLGOIELF-UHFFFAOYSA-N
XLogP4.54
TPSA96.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid?
The IUPAC name of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid (CID 126627219) is 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid?
The canonical SMILES for 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid is Cc1cc2nc(-c3nc(Cc4ccccc4)no3)cn2c(N2CCC(C)(C)CC2)c1CC(=O)O.
What is the InChIKey of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid?
The InChIKey is BFXLFQGLGOIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17-13-22-27-20(24-28-21(29-34-24)14-18-7-5-4-6-8-18)16-31(22)25(19(17)15-23(32)33)30-11-9-26(2,3)10-12-30/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,32,33).
What are the key properties of 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid?
2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid has a molecular weight of 459.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]acetic acid is sourced from PubChem (CID 126627219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).