lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide

C19H24LiN3O6 — CID 172739286

IUPAClithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide
SMILESCOc1cc2nn(C3CCC4(CC3)COCC(=O)N4C)cc2cc1C(=O)O.[Li+].[OH-]
InChIInChI=1S/C19H23N3O5.Li.H2O/c1-21-17(23)10-27-11-19(21)5-3-13(4-6-19)22-9-12-7-14(18(24)25)16(26-2)8-15(12)20-22;;/h7-9,13H,3-6,10-11H2,1-2H3,(H,24,25);;1H2/q;+1;/p-1
InChIKeyIWGFOJBPLWGOQL-UHFFFAOYSA-M
MW397.36 g/mol
LogP-1.09
Rot. Bonds3

About lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide

lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide (PubChem CID 172739286) has the molecular formula C19H24LiN3O6 and a molecular weight of 397.36 g/mol. Its IUPAC name is lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide.

Molecular Properties

Compound Namelithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide
PubChem CID172739286
Molecular FormulaC19H24LiN3O6
Molecular Weight397.36 g/mol
Exact Mass397.18
IUPAC Namelithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide
SMILESCOc1cc2nn(C3CCC4(CC3)COCC(=O)N4C)cc2cc1C(=O)O.[Li+].[OH-]
InChIInChI=1S/C19H23N3O5.Li.H2O/c1-21-17(23)10-27-11-19(21)5-3-13(4-6-19)22-9-12-7-14(18(24)25)16(26-2)8-15(12)20-22;;/h7-9,13H,3-6,10-11H2,1-2H3,(H,24,25);;1H2/q;+1;/p-1
InChIKeyIWGFOJBPLWGOQL-UHFFFAOYSA-M
XLogP-1.09
TPSA123.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide with MolForge

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Related Compounds

6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxylic acid
CID 163396282
(5R,7R,8R)-8-(5-bromo-6-methoxyindazol-2-yl)-1,7-dimethyl-1-azaspiro[4.5]decan-2-one
CID 163396298
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid
CID 163284367
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
2-[(1R,2R)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxyindazole-5-carboxylic acid
CID 169132428
6-methoxy-N-(1-methyl-2-oxo-3-pyridinyl)-2-[4-(2-oxo-1-pyridinyl)cyclohexyl]indazole-5-carboxamide
CID 170227781
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
9-[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 172805725
2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide
CID 175556077
2-(1,1-dihydroxythian-4-yl)-6-methoxy-5-nitroindazole
CID 137377624
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
CID 169132481

Frequently Asked Questions

What is the IUPAC name of lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide?
The IUPAC name of lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide (CID 172739286) is lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide.
What is the SMILES notation for lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide?
The canonical SMILES for lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide is COc1cc2nn(C3CCC4(CC3)COCC(=O)N4C)cc2cc1C(=O)O.[Li+].[OH-].
What is the InChIKey of lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide?
The InChIKey is IWGFOJBPLWGOQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N3O5.Li.H2O/c1-21-17(23)10-27-11-19(21)5-3-13(4-6-19)22-9-12-7-14(18(24)25)16(26-2)8-15(12)20-22;;/h7-9,13H,3-6,10-11H2,1-2H3,(H,24,25);;1H2/q;+1;/p-1.
What are the key properties of lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide?
lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide has a molecular weight of 397.36 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide is sourced from PubChem (CID 172739286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).