6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine

C15H13FN8O — CID 163228825

IUPAC6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESC[C@@H](Cn1cnnn1)Oc1nc(-c2ccc3nccn3n2)ccc1F
InChIInChI=1S/C15H13FN8O/c1-10(8-23-9-18-21-22-23)25-15-11(16)2-3-12(19-15)13-4-5-14-17-6-7-24(14)20-13/h2-7,9-10H,8H2,1H3/t10-/m0/s1
InChIKeyXVSZDAQIMUDHSS-JTQLQIEISA-N
MW340.32 g/mol
LogP1.38
Rot. Bonds5

About 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine

6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 163228825) has the molecular formula C15H13FN8O and a molecular weight of 340.32 g/mol. Its IUPAC name is 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID163228825
Molecular FormulaC15H13FN8O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESC[C@@H](Cn1cnnn1)Oc1nc(-c2ccc3nccn3n2)ccc1F
InChIInChI=1S/C15H13FN8O/c1-10(8-23-9-18-21-22-23)25-15-11(16)2-3-12(19-15)13-4-5-14-17-6-7-24(14)20-13/h2-7,9-10H,8H2,1H3/t10-/m0/s1
InChIKeyXVSZDAQIMUDHSS-JTQLQIEISA-N
XLogP1.38
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 163228825) is 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine is C[C@@H](Cn1cnnn1)Oc1nc(-c2ccc3nccn3n2)ccc1F.
What is the InChIKey of 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is XVSZDAQIMUDHSS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FN8O/c1-10(8-23-9-18-21-22-23)25-15-11(16)2-3-12(19-15)13-4-5-14-17-6-7-24(14)20-13/h2-7,9-10H,8H2,1H3/t10-/m0/s1.
What are the key properties of 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 340.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163228825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).