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

C26H25Cl2N3O3 — CID 75282502

IUPAC2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1nc(-c2cn3cc(Cl)ccc3n2)c(C)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C26H25Cl2N3O3/c1-14-21(16-6-8-17(27)9-7-16)22(24(25(32)33)34-26(3,4)5)15(2)29-23(14)19-13-31-12-18(28)10-11-20(31)30-19/h6-13,24H,1-5H3,(H,32,33)
InChIKeyBXBADISOHNBIAI-UHFFFAOYSA-N
MW498.41 g/mol
LogP6.93
Rot. Bonds5

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

2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 75282502) has the molecular formula C26H25Cl2N3O3 and a molecular weight of 498.41 g/mol. Its IUPAC name is 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID75282502
Molecular FormulaC26H25Cl2N3O3
Molecular Weight498.41 g/mol
Exact Mass497.13
IUPAC Name2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1nc(-c2cn3cc(Cl)ccc3n2)c(C)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C26H25Cl2N3O3/c1-14-21(16-6-8-17(27)9-7-16)22(24(25(32)33)34-26(3,4)5)15(2)29-23(14)19-13-31-12-18(28)10-11-20(31)30-19/h6-13,24H,1-5H3,(H,32,33)
InChIKeyBXBADISOHNBIAI-UHFFFAOYSA-N
XLogP6.93
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 75282502) is 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1nc(-c2cn3cc(Cl)ccc3n2)c(C)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is BXBADISOHNBIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3/c1-14-21(16-6-8-17(27)9-7-16)22(24(25(32)33)34-26(3,4)5)15(2)29-23(14)19-13-31-12-18(28)10-11-20(31)30-19/h6-13,24H,1-5H3,(H,32,33).
What are the key properties of 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 498.41 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 75282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).