2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid

C15H18N2O3 — CID 126485697

IUPAC2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
SMILESCc1cc2cnn(C3CCCCO3)c2cc1CC(=O)O
InChIInChI=1S/C15H18N2O3/c1-10-6-12-9-16-17(14-4-2-3-5-20-14)13(12)7-11(10)8-15(18)19/h6-7,9,14H,2-5,8H2,1H3,(H,18,19)
InChIKeyCXMDCGPSKJFFTD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.67
Rot. Bonds3

About 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid

2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid (PubChem CID 126485697) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
PubChem CID126485697
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
SMILESCc1cc2cnn(C3CCCCO3)c2cc1CC(=O)O
InChIInChI=1S/C15H18N2O3/c1-10-6-12-9-16-17(14-4-2-3-5-20-14)13(12)7-11(10)8-15(18)19/h6-7,9,14H,2-5,8H2,1H3,(H,18,19)
InChIKeyCXMDCGPSKJFFTD-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid?
The IUPAC name of 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid (CID 126485697) is 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid is Cc1cc2cnn(C3CCCCO3)c2cc1CC(=O)O.
What is the InChIKey of 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid?
The InChIKey is CXMDCGPSKJFFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-12-9-16-17(14-4-2-3-5-20-14)13(12)7-11(10)8-15(18)19/h6-7,9,14H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid?
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid is sourced from PubChem (CID 126485697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).