3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid

C26H23FN2O3 — CID 22558585

IUPAC3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3Cc4ccccc4C3)ccc21
InChIInChI=1S/C26H23FN2O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14H2,1H3,(H,30,31)
InChIKeyYGSQDKBDDHPKSI-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.94
Rot. Bonds6

About 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid

3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid (PubChem CID 22558585) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid
PubChem CID22558585
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid
SMILESCn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3Cc4ccccc4C3)ccc21
InChIInChI=1S/C26H23FN2O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14H2,1H3,(H,30,31)
InChIKeyYGSQDKBDDHPKSI-UHFFFAOYSA-N
XLogP4.94
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid (CID 22558585) is 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid is Cn1ncc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3Cc4ccccc4C3)ccc21.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
The InChIKey is YGSQDKBDDHPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14H2,1H3,(H,30,31).
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid?
3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid has a molecular weight of 430.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-fluoro-5-(1-methylindazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).