1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone

C18H22N4O3 — CID 171674639

IUPAC1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCOC2(CCN(C(=O)c3cccc4[nH]ncc34)CC2)C1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-9-10-25-18(12-22)5-7-21(8-6-18)17(24)14-3-2-4-16-15(14)11-19-20-16/h2-4,11H,5-10,12H2,1H3,(H,19,20)
InChIKeyAFFAMZABHMUKIX-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.42
Rot. Bonds1

About 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone

1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 171674639) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID171674639
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCOC2(CCN(C(=O)c3cccc4[nH]ncc34)CC2)C1
InChIInChI=1S/C18H22N4O3/c1-13(23)22-9-10-25-18(12-22)5-7-21(8-6-18)17(24)14-3-2-4-16-15(14)11-19-20-16/h2-4,11H,5-10,12H2,1H3,(H,19,20)
InChIKeyAFFAMZABHMUKIX-UHFFFAOYSA-N
XLogP1.42
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone with MolForge

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Related Compounds

(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
1H-indazol-4-yl(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
CID 127688821
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone
CID 127893301
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
5-(4-acetyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1,3-dihydroindol-2-one
CID 166373053
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
CID 129478452
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369

Frequently Asked Questions

What is the IUPAC name of 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone (CID 171674639) is 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone is CC(=O)N1CCOC2(CCN(C(=O)c3cccc4[nH]ncc34)CC2)C1.
What is the InChIKey of 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is AFFAMZABHMUKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)22-9-10-25-18(12-22)5-7-21(8-6-18)17(24)14-3-2-4-16-15(14)11-19-20-16/h2-4,11H,5-10,12H2,1H3,(H,19,20).
What are the key properties of 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone?
1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 171674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).