2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

C15H13ClN4O2 — CID 94745948

IUPAC2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1c(-c2cccnc2)nc2cc(Cl)cnc21
InChIInChI=1S/C15H13ClN4O2/c1-15(2,14(21)22)20-12(9-4-3-5-17-7-9)19-11-6-10(16)8-18-13(11)20/h3-8H,1-2H3,(H,21,22)
InChIKeyPUVXBZORGXCTTM-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.97
Rot. Bonds3

About 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (PubChem CID 94745948) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
PubChem CID94745948
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1c(-c2cccnc2)nc2cc(Cl)cnc21
InChIInChI=1S/C15H13ClN4O2/c1-15(2,14(21)22)20-12(9-4-3-5-17-7-9)19-11-6-10(16)8-18-13(11)20/h3-8H,1-2H3,(H,21,22)
InChIKeyPUVXBZORGXCTTM-UHFFFAOYSA-N
XLogP2.97
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid with MolForge

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Related Compounds

2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061496
2-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745949
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
2-[6-chloro-2-(3-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209838
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746856
2-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-6-yl)benzamide
CID 169245066
6-chloro-8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82531004
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
2-[6-chloro-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoic acid
CID 14953113
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (CID 94745948) is 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)n1c(-c2cccnc2)nc2cc(Cl)cnc21.
What is the InChIKey of 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The InChIKey is PUVXBZORGXCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-15(2,14(21)22)20-12(9-4-3-5-17-7-9)19-11-6-10(16)8-18-13(11)20/h3-8H,1-2H3,(H,21,22).
What are the key properties of 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid has a molecular weight of 316.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 94745948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).