3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid

C21H23FN2O3 — CID 90142952

IUPAC3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(OCc2cccc3c2c(F)nn3C(C)C)cc1
InChIInChI=1S/C21H23FN2O3/c1-13(2)24-18-6-4-5-16(20(18)21(22)23-24)12-27-17-9-7-15(8-10-17)14(3)11-19(25)26/h4-10,13-14H,11-12H2,1-3H3,(H,25,26)
InChIKeyJHYRKUMAFMWWRA-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.91
Rot. Bonds7

About 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid

3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid (PubChem CID 90142952) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid
PubChem CID90142952
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(OCc2cccc3c2c(F)nn3C(C)C)cc1
InChIInChI=1S/C21H23FN2O3/c1-13(2)24-18-6-4-5-16(20(18)21(22)23-24)12-27-17-9-7-15(8-10-17)14(3)11-19(25)26/h4-10,13-14H,11-12H2,1-3H3,(H,25,26)
InChIKeyJHYRKUMAFMWWRA-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]hex-4-enoic acid
CID 151356301
3-[4-[(1-butyl-3-fluoroindazol-4-yl)methoxy]phenyl]butanoic acid
CID 90142913
3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid
CID 90143002
(3S)-3-[4-[(1-propan-2-ylindazol-4-yl)methoxy]phenyl]hex-4-ynoic acid
CID 90132954
3-[4-[(3-fluoro-1-methylindazol-7-yl)methoxy]phenyl]hex-4-ynoic acid
CID 90143062
3-[4-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842789
3-[4-[[1-[(2,6-difluorophenyl)methyl]-7-methylindol-6-yl]methoxy]phenyl]butanoic acid
CID 90142862
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 123243289
(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid
CID 124564524
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 51350137

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid?
The IUPAC name of 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid (CID 90142952) is 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid.
What is the SMILES notation for 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid?
The canonical SMILES for 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid is CC(CC(=O)O)c1ccc(OCc2cccc3c2c(F)nn3C(C)C)cc1.
What is the InChIKey of 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid?
The InChIKey is JHYRKUMAFMWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13(2)24-18-6-4-5-16(20(18)21(22)23-24)12-27-17-9-7-15(8-10-17)14(3)11-19(25)26/h4-10,13-14H,11-12H2,1-3H3,(H,25,26).
What are the key properties of 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid?
3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid has a molecular weight of 370.42 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid is sourced from PubChem (CID 90142952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).