2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid

C17H13F2N3O5 — CID 54751148

IUPAC2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2cccn2n(Cc2c(F)cccc2F)c1=O
InChIInChI=1S/C17H13F2N3O5/c18-10-3-1-4-11(19)9(10)8-22-17(27)14(16(26)20-7-13(23)24)15(25)12-5-2-6-21(12)22/h1-6,25H,7-8H2,(H,20,26)(H,23,24)
InChIKeyGQGIXDXREWYHGS-UHFFFAOYSA-N
MW377.30 g/mol
LogP0.95
Rot. Bonds5

About 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid

2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid (PubChem CID 54751148) has the molecular formula C17H13F2N3O5 and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
PubChem CID54751148
Molecular FormulaC17H13F2N3O5
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2cccn2n(Cc2c(F)cccc2F)c1=O
InChIInChI=1S/C17H13F2N3O5/c18-10-3-1-4-11(19)9(10)8-22-17(27)14(16(26)20-7-13(23)24)15(25)12-5-2-6-21(12)22/h1-6,25H,7-8H2,(H,20,26)(H,23,24)
InChIKeyGQGIXDXREWYHGS-UHFFFAOYSA-N
XLogP0.95
TPSA113.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751146
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
CID 67086352
2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid
CID 118451784
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 70316876
2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
CID 54738396
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-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238190
2-[[4-hydroxy-2-oxo-1-(2,2,2-trifluoroethoxy)quinoline-3-carbonyl]amino]acetic acid
CID 118451781
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 67086272
2-[[1-(cyclopropylmethyl)-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl]amino]acetic acid
CID 54738404
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid (CID 54751148) is 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2cccn2n(Cc2c(F)cccc2F)c1=O.
What is the InChIKey of 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
The InChIKey is GQGIXDXREWYHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O5/c18-10-3-1-4-11(19)9(10)8-22-17(27)14(16(26)20-7-13(23)24)15(25)12-5-2-6-21(12)22/h1-6,25H,7-8H2,(H,20,26)(H,23,24).
What are the key properties of 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid has a molecular weight of 377.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 54751148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).