3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C26H26N2O4 — CID 134179619

IUPAC3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc3nc(C(=O)O)c(-c4ccc(OC(C)C)cc4)n3c2)cc1
InChIInChI=1S/C26H26N2O4/c1-16(2)31-21-10-5-18(6-11-21)20-9-14-23-27-24(26(29)30)25(28(23)15-20)19-7-12-22(13-8-19)32-17(3)4/h5-17H,1-4H3,(H,29,30)
InChIKeyRRFXTDMQQCLCKK-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.94
Rot. Bonds7

About 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 134179619) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID134179619
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc3nc(C(=O)O)c(-c4ccc(OC(C)C)cc4)n3c2)cc1
InChIInChI=1S/C26H26N2O4/c1-16(2)31-21-10-5-18(6-11-21)20-9-14-23-27-24(26(29)30)25(28(23)15-20)19-7-12-22(13-8-19)32-17(3)4/h5-17H,1-4H3,(H,29,30)
InChIKeyRRFXTDMQQCLCKK-UHFFFAOYSA-N
XLogP5.94
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 134179619) is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)Oc1ccc(-c2ccc3nc(C(=O)O)c(-c4ccc(OC(C)C)cc4)n3c2)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is RRFXTDMQQCLCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16(2)31-21-10-5-18(6-11-21)20-9-14-23-27-24(26(29)30)25(28(23)15-20)19-7-12-22(13-8-19)32-17(3)4/h5-17H,1-4H3,(H,29,30).
What are the key properties of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 134179619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).