2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C11H7N5O3 — CID 136966691

IUPAC2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3ccc(=O)[nH]n3)[nH]c12
InChIInChI=1S/C11H7N5O3/c17-7-2-1-6(15-16-7)9-13-8-5(11(18)19)3-4-12-10(8)14-9/h1-4H,(H,16,17)(H,18,19)(H,12,13,14)
InChIKeyPSALMBWTDDUIRG-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.41
Rot. Bonds2

About 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 136966691) has the molecular formula C11H7N5O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID136966691
Molecular FormulaC11H7N5O3
Molecular Weight257.21 g/mol
Exact Mass257.05
IUPAC Name2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3ccc(=O)[nH]n3)[nH]c12
InChIInChI=1S/C11H7N5O3/c17-7-2-1-6(15-16-7)9-13-8-5(11(18)19)3-4-12-10(8)14-9/h1-4H,(H,16,17)(H,18,19)(H,12,13,14)
InChIKeyPSALMBWTDDUIRG-UHFFFAOYSA-N
XLogP0.41
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-(6-methyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582603
2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103936814
6-oxo-5H-1,5-naphthyridine-4-carboxylic acid
CID 146599640
2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 167937720
2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582695
2-(2,3-difluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938268
2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103511256
2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582745
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938354

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 136966691) is 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3ccc(=O)[nH]n3)[nH]c12.
What is the InChIKey of 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is PSALMBWTDDUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O3/c17-7-2-1-6(15-16-7)9-13-8-5(11(18)19)3-4-12-10(8)14-9/h1-4H,(H,16,17)(H,18,19)(H,12,13,14).
What are the key properties of 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 257.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136966691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).