1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone

C23H19ClF2N2O2 — CID 91545456

IUPAC1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1ccc2cc(CN3C=C(Cl)C(OCc4ccc(F)cc4F)=CC3)ccc21
InChIInChI=1S/C23H19ClF2N2O2/c1-15(29)28-9-6-17-10-16(2-5-22(17)28)12-27-8-7-23(20(24)13-27)30-14-18-3-4-19(25)11-21(18)26/h2-7,9-11,13H,8,12,14H2,1H3
InChIKeyLCWTYVGNMFJMLW-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.58
Rot. Bonds5

About 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone

1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone (PubChem CID 91545456) has the molecular formula C23H19ClF2N2O2 and a molecular weight of 428.87 g/mol. Its IUPAC name is 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone
PubChem CID91545456
Molecular FormulaC23H19ClF2N2O2
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1ccc2cc(CN3C=C(Cl)C(OCc4ccc(F)cc4F)=CC3)ccc21
InChIInChI=1S/C23H19ClF2N2O2/c1-15(29)28-9-6-17-10-16(2-5-22(17)28)12-27-8-7-23(20(24)13-27)30-14-18-3-4-19(25)11-21(18)26/h2-7,9-11,13H,8,12,14H2,1H3
InChIKeyLCWTYVGNMFJMLW-UHFFFAOYSA-N
XLogP5.58
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone?
The IUPAC name of 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone (CID 91545456) is 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone is CC(=O)n1ccc2cc(CN3C=C(Cl)C(OCc4ccc(F)cc4F)=CC3)ccc21.
What is the InChIKey of 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone?
The InChIKey is LCWTYVGNMFJMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O2/c1-15(29)28-9-6-17-10-16(2-5-22(17)28)12-27-8-7-23(20(24)13-27)30-14-18-3-4-19(25)11-21(18)26/h2-7,9-11,13H,8,12,14H2,1H3.
What are the key properties of 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone?
1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone has a molecular weight of 428.87 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyridin-1-yl]methyl]indol-1-yl]ethanone is sourced from PubChem (CID 91545456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).