6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid

C14H16N2O4 — CID 163284367

IUPAC6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid
SMILESCOc1cc2nn(CC3CCOC3)cc2cc1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-19-13-5-12-10(4-11(13)14(17)18)7-16(15-12)6-9-2-3-20-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyIJVUGCMRXPFEKP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.78
Rot. Bonds4

About 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid

6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid (PubChem CID 163284367) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid
PubChem CID163284367
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid
SMILESCOc1cc2nn(CC3CCOC3)cc2cc1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-19-13-5-12-10(4-11(13)14(17)18)7-16(15-12)6-9-2-3-20-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyIJVUGCMRXPFEKP-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[2-[[(3S)-oxolan-3-yl]methyl]indazol-5-yl]methoxy]phenyl]hex-4-ynoic acid
CID 90133534
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxylic acid
CID 163396282
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
5-methoxy-2-nitro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61313828
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443
5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine
CID 155444094
lithium;6-methoxy-2-(1-methyl-2-oxo-4-oxa-1-azaspiro[5.5]undecan-9-yl)indazole-5-carboxylic acid;hydroxide
CID 172739286
2-[(1R,2R)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxyindazole-5-carboxylic acid
CID 169132428
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
2-methyl-3-(oxolan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791400

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid?
The IUPAC name of 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid (CID 163284367) is 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid?
The canonical SMILES for 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid is COc1cc2nn(CC3CCOC3)cc2cc1C(=O)O.
What is the InChIKey of 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid?
The InChIKey is IJVUGCMRXPFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-13-5-12-10(4-11(13)14(17)18)7-16(15-12)6-9-2-3-20-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid?
6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(oxolan-3-ylmethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 163284367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).