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

C25H25N3O3 — CID 15287883

IUPAC2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-3-7-21-27-22-17(2)14-15-26-24(22)28(21)16-18-10-12-20(13-11-18)31-23(25(29)30)19-8-5-4-6-9-19/h4-6,8-15,23H,3,7,16H2,1-2H3,(H,29,30)
InChIKeyDJSIDVKDEPSWHS-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.95
Rot. Bonds8

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

2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid (PubChem CID 15287883) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid
PubChem CID15287883
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-3-7-21-27-22-17(2)14-15-26-24(22)28(21)16-18-10-12-20(13-11-18)31-23(25(29)30)19-8-5-4-6-9-19/h4-6,8-15,23H,3,7,16H2,1-2H3,(H,29,30)
InChIKeyDJSIDVKDEPSWHS-UHFFFAOYSA-N
XLogP4.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid?
The IUPAC name of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid (CID 15287883) is 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid is CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid?
The InChIKey is DJSIDVKDEPSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-3-7-21-27-22-17(2)14-15-26-24(22)28(21)16-18-10-12-20(13-11-18)31-23(25(29)30)19-8-5-4-6-9-19/h4-6,8-15,23H,3,7,16H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid?
2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid has a molecular weight of 415.49 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]-2-phenylacetic acid is sourced from PubChem (CID 15287883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).