1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid

C18H17N3O3 — CID 86679701

IUPAC1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C18H17N3O3/c22-18(23)17-14-10-12(13-4-3-8-19-11-13)6-7-15(14)21(20-17)16-5-1-2-9-24-16/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,22,23)
InChIKeyIYCXZAAWNNIFRJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.50
Rot. Bonds3

About 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid

1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid (PubChem CID 86679701) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
PubChem CID86679701
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESO=C(O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C18H17N3O3/c22-18(23)17-14-10-12(13-4-3-8-19-11-13)6-7-15(14)21(20-17)16-5-1-2-9-24-16/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,22,23)
InChIKeyIYCXZAAWNNIFRJ-UHFFFAOYSA-N
XLogP3.50
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid?
The IUPAC name of 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid (CID 86679701) is 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid.
What is the SMILES notation for 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid?
The canonical SMILES for 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid is O=C(O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid?
The InChIKey is IYCXZAAWNNIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(23)17-14-10-12(13-4-3-8-19-11-13)6-7-15(14)21(20-17)16-5-1-2-9-24-16/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,22,23).
What are the key properties of 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid?
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid is sourced from PubChem (CID 86679701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).