2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid

C26H27N3O3 — CID 15287890

IUPAC2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2C)cc1
InChIInChI=1S/C26H27N3O3/c1-4-7-22-28-23-18(3)14-15-27-25(23)29(22)16-19-10-12-20(13-11-19)32-24(26(30)31)21-9-6-5-8-17(21)2/h5-6,8-15,24H,4,7,16H2,1-3H3,(H,30,31)
InChIKeyXXHLCVDUVSKHAU-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.25
Rot. Bonds8

About 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid

2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid (PubChem CID 15287890) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
PubChem CID15287890
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2C)cc1
InChIInChI=1S/C26H27N3O3/c1-4-7-22-28-23-18(3)14-15-27-25(23)29(22)16-19-10-12-20(13-11-19)32-24(26(30)31)21-9-6-5-8-17(21)2/h5-6,8-15,24H,4,7,16H2,1-3H3,(H,30,31)
InChIKeyXXHLCVDUVSKHAU-UHFFFAOYSA-N
XLogP5.25
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid (CID 15287890) is 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid is CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?
The InChIKey is XXHLCVDUVSKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-4-7-22-28-23-18(3)14-15-27-25(23)29(22)16-19-10-12-20(13-11-19)32-24(26(30)31)21-9-6-5-8-17(21)2/h5-6,8-15,24H,4,7,16H2,1-3H3,(H,30,31).
What are the key properties of 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid?
2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid has a molecular weight of 429.52 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 15287890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).