2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

C14H18ClN3O2 — CID 82143426

IUPAC2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C)c1nc2cc(Cl)cnc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H18ClN3O2/c1-13(2,3)11-17-9-6-8(15)7-16-10(9)18(11)14(4,5)12(19)20/h6-7H,1-5H3,(H,19,20)
InChIKeyNQDXYRZEDINZPI-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.20
Rot. Bonds2

About 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (PubChem CID 82143426) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
PubChem CID82143426
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C)c1nc2cc(Cl)cnc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H18ClN3O2/c1-13(2,3)11-17-9-6-8(15)7-16-10(9)18(11)14(4,5)12(19)20/h6-7H,1-5H3,(H,19,20)
InChIKeyNQDXYRZEDINZPI-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745949
2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745948
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
CID 82151314
3-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 82151206
2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 106330048
3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-3-methylbutanamide
CID 106097670
2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061486
2-[6-chloro-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoic acid
CID 14953113
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 93209564
2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061496
2,3-ditert-butyl-6-chloroquinazolin-4-one
CID 90250802

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (CID 82143426) is 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is CC(C)(C)c1nc2cc(Cl)cnc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The InChIKey is NQDXYRZEDINZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-13(2,3)11-17-9-6-8(15)7-16-10(9)18(11)14(4,5)12(19)20/h6-7H,1-5H3,(H,19,20).
What are the key properties of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid has a molecular weight of 295.77 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82143426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).