2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid

C16H14N4O5 — CID 67086352

IUPAC2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2nccn2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H14N4O5/c21-11(22)8-18-15(24)12-13(23)14-17-6-7-19(14)20(16(12)25)9-10-4-2-1-3-5-10/h1-7,23H,8-9H2,(H,18,24)(H,21,22)
InChIKeyCAWMRWKQRWADPW-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.06
Rot. Bonds5

About 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid

2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid (PubChem CID 67086352) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
PubChem CID67086352
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2nccn2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H14N4O5/c21-11(22)8-18-15(24)12-13(23)14-17-6-7-19(14)20(16(12)25)9-10-4-2-1-3-5-10/h1-7,23H,8-9H2,(H,18,24)(H,21,22)
InChIKeyCAWMRWKQRWADPW-UHFFFAOYSA-N
XLogP0.06
TPSA125.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(13-benzyl-10-hydroxy-12-oxo-1,6,8,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
CID 87262978
2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
CID 54738396
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751148
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751146
2-[[1-(cyclopropylmethyl)-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl]amino]acetic acid
CID 54738404
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[[6-(4-chlorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739155
2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 135929042
2-[[1-benzyl-4-hydroxy-5-(naphthalen-1-ylcarbamoyl)-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238083
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid (CID 67086352) is 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2nccn2n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid?
The InChIKey is CAWMRWKQRWADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c21-11(22)8-18-15(24)12-13(23)14-17-6-7-19(14)20(16(12)25)9-10-4-2-1-3-5-10/h1-7,23H,8-9H2,(H,18,24)(H,21,22).
What are the key properties of 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid?
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid has a molecular weight of 342.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid is sourced from PubChem (CID 67086352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).