2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H25N5O — CID 118743639

IUPAC2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(N2CCCC3(COCCN(c4ccccn4)C3)C2)nn1
InChIInChI=1S/C19H25N5O/c1-16-6-7-18(22-21-16)23-10-4-8-19(13-23)14-24(11-12-25-15-19)17-5-2-3-9-20-17/h2-3,5-7,9H,4,8,10-15H2,1H3
InChIKeyDRGNBGJFBUKTKT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.30
Rot. Bonds2

About 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118743639) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118743639
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCc1ccc(N2CCCC3(COCCN(c4ccccn4)C3)C2)nn1
InChIInChI=1S/C19H25N5O/c1-16-6-7-18(22-21-16)23-10-4-8-19(13-23)14-24(11-12-25-15-19)17-5-2-3-9-20-17/h2-3,5-7,9H,4,8,10-15H2,1H3
InChIKeyDRGNBGJFBUKTKT-UHFFFAOYSA-N
XLogP2.30
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118743639) is 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is Cc1ccc(N2CCCC3(COCCN(c4ccccn4)C3)C2)nn1.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is DRGNBGJFBUKTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16-6-7-18(22-21-16)23-10-4-8-19(13-23)14-24(11-12-25-15-19)17-5-2-3-9-20-17/h2-3,5-7,9H,4,8,10-15H2,1H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 339.44 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridazin-3-yl)-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118743639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).