2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid

C24H19F3N2O3 — CID 11166570

IUPAC2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccc2ccn(CC(=O)O)c2c1
InChIInChI=1S/C24H19F3N2O3/c1-15-18(5-9-21(28-15)16-2-6-19(7-3-16)24(25,26)27)14-32-20-8-4-17-10-11-29(13-23(30)31)22(17)12-20/h2-12H,13-14H2,1H3,(H,30,31)
InChIKeyYJTYNMORSKIOJP-UHFFFAOYSA-N
MW440.42 g/mol
LogP5.69
Rot. Bonds6

About 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid

2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid (PubChem CID 11166570) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid
PubChem CID11166570
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccc2ccn(CC(=O)O)c2c1
InChIInChI=1S/C24H19F3N2O3/c1-15-18(5-9-21(28-15)16-2-6-19(7-3-16)24(25,26)27)14-32-20-8-4-17-10-11-29(13-23(30)31)22(17)12-20/h2-12H,13-14H2,1H3,(H,30,31)
InChIKeyYJTYNMORSKIOJP-UHFFFAOYSA-N
XLogP5.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid (CID 11166570) is 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccc2ccn(CC(=O)O)c2c1.
What is the InChIKey of 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
The InChIKey is YJTYNMORSKIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-15-18(5-9-21(28-15)16-2-6-19(7-3-16)24(25,26)27)14-32-20-8-4-17-10-11-29(13-23(30)31)22(17)12-20/h2-12H,13-14H2,1H3,(H,30,31).
What are the key properties of 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid?
2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid has a molecular weight of 440.42 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11166570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).