2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid

C24H20F2N2O3 — CID 52919156

IUPAC2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
SMILESCc1c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C24H20F2N2O3/c1-15-19(20-11-18(25)7-8-22(20)28(15)14-24(30)31)10-16-6-9-23(29)27(12-16)13-17-4-2-3-5-21(17)26/h2-9,11-12H,10,13-14H2,1H3,(H,30,31)
InChIKeyYVTHYEMTBXGEMA-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.11
Rot. Bonds6

About 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid

2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid (PubChem CID 52919156) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
PubChem CID52919156
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
SMILESCc1c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C24H20F2N2O3/c1-15-19(20-11-18(25)7-8-22(20)28(15)14-24(30)31)10-16-6-9-23(29)27(12-16)13-17-4-2-3-5-21(17)26/h2-9,11-12H,10,13-14H2,1H3,(H,30,31)
InChIKeyYVTHYEMTBXGEMA-UHFFFAOYSA-N
XLogP4.11
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid (CID 52919156) is 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid is Cc1c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc2n1CC(=O)O.
What is the InChIKey of 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid?
The InChIKey is YVTHYEMTBXGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c1-15-19(20-11-18(25)7-8-22(20)28(15)14-24(30)31)10-16-6-9-23(29)27(12-16)13-17-4-2-3-5-21(17)26/h2-9,11-12H,10,13-14H2,1H3,(H,30,31).
What are the key properties of 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid?
2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid has a molecular weight of 422.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 52919156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).