5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C24H21F3N4O3 — CID 59394192

IUPAC5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ccnc(CNCCO)c3)ccc21
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-2-1-3-18(13-17)30-23(33)31-10-7-16-12-20(4-5-22(16)31)34-21-6-8-29-19(14-21)15-28-9-11-32/h1-8,10,12-14,28,32H,9,11,15H2,(H,30,33)
InChIKeyJFGLECBQHYUTCX-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.01
Rot. Bonds7

About 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394192) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59394192
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ccnc(CNCCO)c3)ccc21
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-2-1-3-18(13-17)30-23(33)31-10-7-16-12-20(4-5-22(16)31)34-21-6-8-29-19(14-21)15-28-9-11-32/h1-8,10,12-14,28,32H,9,11,15H2,(H,30,33)
InChIKeyJFGLECBQHYUTCX-UHFFFAOYSA-N
XLogP5.01
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-amino-4-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 70877308
2-[[4-[1-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]indol-5-yl]oxy-2-pyridinyl]methylamino]ethanol
CID 90983084
5-[6-[(2-methylsulfonylethylamino)methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394221
1-[4-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]indol-5-yl]oxy-2-pyridinyl]ethanesulfonic acid
CID 142709591
5-[6-[[2-(2-oxopiperidin-1-yl)ethylamino]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394317
5-[2-[2-(propan-2-ylamino)ethyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394583
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305
5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394425
5-[6-[(3-carbamoylpyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394341
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-[(2-methoxyethylamino)methyl]pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394595
5-[6-[[acetyl(pyrrolidin-3-yl)amino]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394774
5-[6-[[(1R)-3-acetyl-3,7-diazabicyclo[4.1.0]heptan-7-yl]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 89056231

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394192) is 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ccnc(CNCCO)c3)ccc21.
What is the InChIKey of 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is JFGLECBQHYUTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)17-2-1-3-18(13-17)30-23(33)31-10-7-16-12-20(4-5-22(16)31)34-21-6-8-29-19(14-21)15-28-9-11-32/h1-8,10,12-14,28,32H,9,11,15H2,(H,30,33).
What are the key properties of 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).