2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one

C22H25N5O3 — CID 146273155

IUPAC2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CCOCC4)C3)cc2=O)cn1
InChIInChI=1S/C22H25N5O3/c1-15-3-4-17(10-23-15)21-19(16(2)30-25-21)12-27-20(28)9-18(11-24-27)26-13-22(14-26)5-7-29-8-6-22/h3-4,9-11H,5-8,12-14H2,1-2H3
InChIKeyHAOJGYAUDDRJRX-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.58
Rot. Bonds4

About 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one

2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one (PubChem CID 146273155) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
PubChem CID146273155
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CCOCC4)C3)cc2=O)cn1
InChIInChI=1S/C22H25N5O3/c1-15-3-4-17(10-23-15)21-19(16(2)30-25-21)12-27-20(28)9-18(11-24-27)26-13-22(14-26)5-7-29-8-6-22/h3-4,9-11H,5-8,12-14H2,1-2H3
InChIKeyHAOJGYAUDDRJRX-UHFFFAOYSA-N
XLogP2.58
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one (CID 146273155) is 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one is Cc1ccc(-c2noc(C)c2Cn2ncc(N3CC4(CCOCC4)C3)cc2=O)cn1.
What is the InChIKey of 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one?
The InChIKey is HAOJGYAUDDRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-3-4-17(10-23-15)21-19(16(2)30-25-21)12-27-20(28)9-18(11-24-27)26-13-22(14-26)5-7-29-8-6-22/h3-4,9-11H,5-8,12-14H2,1-2H3.
What are the key properties of 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one?
2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one has a molecular weight of 407.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one is sourced from PubChem (CID 146273155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).