lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride

C29H20F2LiN11O7 — CID 174144729

About lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride

lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride (PubChem CID 174144729) has the molecular formula C29H20F2LiN11O7 and a molecular weight of 679.49 g/mol. Its IUPAC name is lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride.

Molecular Properties

• Compound Name: lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride
• PubChem CID: 174144729
• Molecular Formula: C29H20F2LiN11O7
• Molecular Weight: 679.49 g/mol
• Exact Mass: 679.17
• IUPAC Name: lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride
• SMILES: O=C(Nc1cc(CCOc2cc(NC(=O)c3ccc4nnnn4n3)c(C(=O)O)cc2F)c(F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1.[H-].[Li+]
• InChI: InChI=1S/C29H19F2N11O7.Li.H/c30-17-10-15(28(45)46)21(33-26(43)19-1-3-24(36-35-19)41-7-6-32-13-41)9-14(17)5-8-49-23-12-22(16(29(47)48)11-18(23)31)34-27(44)20-2-4-25-37-39-40-42(25)38-20;;/h1-4,6-7,9-13H,5,8H2,(H,33,43)(H,34,44)(H,45,46)(H,47,48);;/q;+1;-1
• InChIKey: OLUXGHDIVMQYMM-UHFFFAOYSA-N
• XLogP: -0.59
• TPSA: 241.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.49
LogP ≤ 5	-0.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride?

The IUPAC name of lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride (CID 174144729) is lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride.

What is the SMILES notation for lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride?

The canonical SMILES for lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride is O=C(Nc1cc(CCOc2cc(NC(=O)c3ccc4nnnn4n3)c(C(=O)O)cc2F)c(F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1.[H-].[Li+].

What is the InChIKey of lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride?

The InChIKey is OLUXGHDIVMQYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N11O7.Li.H/c30-17-10-15(28(45)46)21(33-26(43)19-1-3-24(36-35-19)41-7-6-32-13-41)9-14(17)5-8-49-23-12-22(16(29(47)48)11-18(23)31)34-27(44)20-2-4-25-37-39-40-42(25)38-20;;/h1-4,6-7,9-13H,5,8H2,(H,33,43)(H,34,44)(H,45,46)(H,47,48);;/q;+1;-1.

What are the key properties of lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride?

lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride has a molecular weight of 679.49 g/mol, XLogP of -0.59, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-[2-[4-carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenoxy]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;hydride is sourced from PubChem (CID 174144729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).