2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid

C23H20ClN3O2 — CID 70833656

IUPAC2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid
SMILESCc1nc(-c2nc3ccccn3c2C)c(C)c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C23H20ClN3O2/c1-13-21(16-7-9-17(24)10-8-16)18(12-20(28)29)14(2)25-22(13)23-15(3)27-11-5-4-6-19(27)26-23/h4-11H,12H2,1-3H3,(H,28,29)
InChIKeyOYURXOGOSKOVLX-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.27
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid

2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid (PubChem CID 70833656) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid
PubChem CID70833656
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid
SMILESCc1nc(-c2nc3ccccn3c2C)c(C)c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C23H20ClN3O2/c1-13-21(16-7-9-17(24)10-8-16)18(12-20(28)29)14(2)25-22(13)23-15(3)27-11-5-4-6-19(27)26-23/h4-11H,12H2,1-3H3,(H,28,29)
InChIKeyOYURXOGOSKOVLX-UHFFFAOYSA-N
XLogP5.27
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid (CID 70833656) is 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid is Cc1nc(-c2nc3ccccn3c2C)c(C)c(-c2ccc(Cl)cc2)c1CC(=O)O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid?
The InChIKey is OYURXOGOSKOVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-13-21(16-7-9-17(24)10-8-16)18(12-20(28)29)14(2)25-22(13)23-15(3)27-11-5-4-6-19(27)26-23/h4-11H,12H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid?
2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid has a molecular weight of 405.89 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(3-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 70833656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).