1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

C26H22F3N5O2 — CID 170188670

IUPAC1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCn1ccc(-c2cnc(N)c(Oc3ccc4c(c3)CCN4C(=O)Cc3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C26H22F3N5O2/c1-33-9-8-21(32-33)18-14-23(25(30)31-15-18)36-20-5-6-22-17(13-20)7-10-34(22)24(35)12-16-3-2-4-19(11-16)26(27,28)29/h2-6,8-9,11,13-15H,7,10,12H2,1H3,(H2,30,31)
InChIKeyWTBCQDZHYLYHLW-UHFFFAOYSA-N
MW493.49 g/mol
LogP5.01
Rot. Bonds5

About 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 170188670) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID170188670
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCn1ccc(-c2cnc(N)c(Oc3ccc4c(c3)CCN4C(=O)Cc3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C26H22F3N5O2/c1-33-9-8-21(32-33)18-14-23(25(30)31-15-18)36-20-5-6-22-17(13-20)7-10-34(22)24(35)12-16-3-2-4-19(11-16)26(27,28)29/h2-6,8-9,11,13-15H,7,10,12H2,1H3,(H2,30,31)
InChIKeyWTBCQDZHYLYHLW-UHFFFAOYSA-N
XLogP5.01
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 170188670) is 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cn1ccc(-c2cnc(N)c(Oc3ccc4c(c3)CCN4C(=O)Cc3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WTBCQDZHYLYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-33-9-8-21(32-33)18-14-23(25(30)31-15-18)36-20-5-6-22-17(13-20)7-10-34(22)24(35)12-16-3-2-4-19(11-16)26(27,28)29/h2-6,8-9,11,13-15H,7,10,12H2,1H3,(H2,30,31).
What are the key properties of 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 493.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 170188670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).