N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

C17H20FN5O — CID 134076717

IUPACN-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1ccc(N2CCC3(CC(Nc4ncccc4F)CO3)C2)nn1
InChIInChI=1S/C17H20FN5O/c1-12-4-5-15(22-21-12)23-8-6-17(11-23)9-13(10-24-17)20-16-14(18)3-2-7-19-16/h2-5,7,13H,6,8-11H2,1H3,(H,19,20)
InChIKeyQTGJZLCWQMWQKL-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.17
Rot. Bonds3

About N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 134076717) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID134076717
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1ccc(N2CCC3(CC(Nc4ncccc4F)CO3)C2)nn1
InChIInChI=1S/C17H20FN5O/c1-12-4-5-15(22-21-12)23-8-6-17(11-23)9-13(10-24-17)20-16-14(18)3-2-7-19-16/h2-5,7,13H,6,8-11H2,1H3,(H,19,20)
InChIKeyQTGJZLCWQMWQKL-UHFFFAOYSA-N
XLogP2.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 134076717) is N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1ccc(N2CCC3(CC(Nc4ncccc4F)CO3)C2)nn1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is QTGJZLCWQMWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12-4-5-15(22-21-12)23-8-6-17(11-23)9-13(10-24-17)20-16-14(18)3-2-7-19-16/h2-5,7,13H,6,8-11H2,1H3,(H,19,20).
What are the key properties of N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 329.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 134076717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).