9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

C19H25N5O — CID 97396368

IUPAC9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CC2)COCCN3Cc2cccnc2)nn1
InChIInChI=1S/C19H25N5O/c1-16-4-5-18(22-21-16)23-9-6-19(7-10-23)15-25-12-11-24(19)14-17-3-2-8-20-13-17/h2-5,8,13H,6-7,9-12,14-15H2,1H3
InChIKeyZQCQKOHTWHDRKY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.05
Rot. Bonds3

About 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396368) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396368
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CC2)COCCN3Cc2cccnc2)nn1
InChIInChI=1S/C19H25N5O/c1-16-4-5-18(22-21-16)23-9-6-19(7-10-23)15-25-12-11-24(19)14-17-3-2-8-20-13-17/h2-5,8,13H,6-7,9-12,14-15H2,1H3
InChIKeyZQCQKOHTWHDRKY-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

9-(6-methylpyridazin-3-yl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97408056
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 97396357
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
3-(6-methylpyridazin-3-yl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97385532
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
3-pyrazin-2-yl-11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171692634
(8S)-2-(6-methylpyridazin-3-yl)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797999
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
2-(6-methylpyridazin-3-yl)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640700

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396368) is 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1ccc(N2CCC3(CC2)COCCN3Cc2cccnc2)nn1.
What is the InChIKey of 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is ZQCQKOHTWHDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16-4-5-18(22-21-16)23-9-6-19(7-10-23)15-25-12-11-24(19)14-17-3-2-8-20-13-17/h2-5,8,13H,6-7,9-12,14-15H2,1H3.
What are the key properties of 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 339.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyridazin-3-yl)-1-(pyridin-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).