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

C22H27N3O2 — CID 10618853

IUPAC3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(C)C(C)C(=O)O)cc1
InChIInChI=1S/C22H27N3O2/c1-6-19-24-20-13(2)11-14(3)23-21(20)25(19)12-17-7-9-18(10-8-17)15(4)16(5)22(26)27/h7-11,15-16H,6,12H2,1-5H3,(H,26,27)
InChIKeyPFLDPOZALLKJHW-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.48
Rot. Bonds6

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

3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid (PubChem CID 10618853) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid
PubChem CID10618853
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(C)C(C)C(=O)O)cc1
InChIInChI=1S/C22H27N3O2/c1-6-19-24-20-13(2)11-14(3)23-21(20)25(19)12-17-7-9-18(10-8-17)15(4)16(5)22(26)27/h7-11,15-16H,6,12H2,1-5H3,(H,26,27)
InChIKeyPFLDPOZALLKJHW-UHFFFAOYSA-N
XLogP4.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.48
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-methylbutanoic acid?
The IUPAC name of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid (CID 10618853) is 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid.
What is the SMILES notation for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid?
The canonical SMILES for 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(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-methylbutanoic acid?
The InChIKey is PFLDPOZALLKJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-6-19-24-20-13(2)11-14(3)23-21(20)25(19)12-17-7-9-18(10-8-17)15(4)16(5)22(26)27/h7-11,15-16H,6,12H2,1-5H3,(H,26,27).
What are the key properties of 3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid?
3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methylbutanoic acid has a molecular weight of 365.48 g/mol, XLogP of 4.48, 6 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-methylbutanoic acid is sourced from PubChem (CID 10618853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).