2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid

C24H19FN2O2 — CID 46205536

IUPAC2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C24H19FN2O2/c1-15-19(10-24(28)29)9-18-6-7-21(25)11-23(18)22(15)8-16-2-4-17(5-3-16)20-12-26-14-27-13-20/h2-7,9,11-14H,8,10H2,1H3,(H,28,29)
InChIKeyXJPXKANEVNPXLF-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.96
Rot. Bonds5

About 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid

2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid (PubChem CID 46205536) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid
PubChem CID46205536
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C24H19FN2O2/c1-15-19(10-24(28)29)9-18-6-7-21(25)11-23(18)22(15)8-16-2-4-17(5-3-16)20-12-26-14-27-13-20/h2-7,9,11-14H,8,10H2,1H3,(H,28,29)
InChIKeyXJPXKANEVNPXLF-UHFFFAOYSA-N
XLogP4.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid (CID 46205536) is 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(F)cc2c1Cc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid?
The InChIKey is XJPXKANEVNPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-15-19(10-24(28)29)9-18-6-7-21(25)11-23(18)22(15)8-16-2-4-17(5-3-16)20-12-26-14-27-13-20/h2-7,9,11-14H,8,10H2,1H3,(H,28,29).
What are the key properties of 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid?
2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid has a molecular weight of 386.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-methyl-4-[(4-pyrimidin-5-ylphenyl)methyl]naphthalen-2-yl]acetic acid is sourced from PubChem (CID 46205536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).