3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid

C24H31N3O2 — CID 11794897

IUPAC3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(C(C)C)C(C)C(=O)O)cc1
InChIInChI=1S/C24H31N3O2/c1-7-20-26-22-15(4)12-16(5)25-23(22)27(20)13-18-8-10-19(11-9-18)21(14(2)3)17(6)24(28)29/h8-12,14,17,21H,7,13H2,1-6H3,(H,28,29)
InChIKeyGDXDTAJSARIJCP-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.12
Rot. Bonds7

About 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid

3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid (PubChem CID 11794897) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid
PubChem CID11794897
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(C(C)C)C(C)C(=O)O)cc1
InChIInChI=1S/C24H31N3O2/c1-7-20-26-22-15(4)12-16(5)25-23(22)27(20)13-18-8-10-19(11-9-18)21(14(2)3)17(6)24(28)29/h8-12,14,17,21H,7,13H2,1-6H3,(H,28,29)
InChIKeyGDXDTAJSARIJCP-UHFFFAOYSA-N
XLogP5.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid?
The IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid (CID 11794897) is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid?
The canonical SMILES for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(C(C)C)C(C)C(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid?
The InChIKey is GDXDTAJSARIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-7-20-26-22-15(4)12-16(5)25-23(22)27(20)13-18-8-10-19(11-9-18)21(14(2)3)17(6)24(28)29/h8-12,14,17,21H,7,13H2,1-6H3,(H,28,29).
What are the key properties of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid?
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid has a molecular weight of 393.53 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 11794897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).