1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C18H23N3O3 — CID 91917964

IUPAC1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C18H23N3O3/c1-23-13-6-11-24-18(12-13)7-9-21(10-8-18)17(22)16-14-4-2-3-5-15(14)19-20-16/h2-5,13H,6-12H2,1H3,(H,19,20)
InChIKeyKUXUOPGYAXUOMZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.36
Rot. Bonds2

About 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91917964) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91917964
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C18H23N3O3/c1-23-13-6-11-24-18(12-13)7-9-21(10-8-18)17(22)16-14-4-2-3-5-15(14)19-20-16/h2-5,13H,6-12H2,1H3,(H,19,20)
InChIKeyKUXUOPGYAXUOMZ-UHFFFAOYSA-N
XLogP2.36
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
N-[(4R,5S)-5-hydroxy-9-(1H-indazole-3-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137335512
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
(2-ethylpyrazol-3-yl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91907679
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91917964) is 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COC1CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1.
What is the InChIKey of 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is KUXUOPGYAXUOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-13-6-11-24-18(12-13)7-9-21(10-8-18)17(22)16-14-4-2-3-5-15(14)19-20-16/h2-5,13H,6-12H2,1H3,(H,19,20).
What are the key properties of 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91917964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).