5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

C22H17F4N3O — CID 122654860

IUPAC5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(Nc1cc(Cc2cccc(C(F)(F)F)c2)ccn1)c1c(F)ccc2c1CCN2
InChIInChI=1S/C22H17F4N3O/c23-17-4-5-18-16(7-9-27-18)20(17)21(30)29-19-12-14(6-8-28-19)10-13-2-1-3-15(11-13)22(24,25)26/h1-6,8,11-12,27H,7,9-10H2,(H,28,29,30)
InChIKeyYNUGPRQOEMRWFW-UHFFFAOYSA-N
MW415.39 g/mol
LogP5.05
Rot. Bonds4

About 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122654860) has the molecular formula C22H17F4N3O and a molecular weight of 415.39 g/mol. Its IUPAC name is 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122654860
Molecular FormulaC22H17F4N3O
Molecular Weight415.39 g/mol
Exact Mass415.13
IUPAC Name5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(Nc1cc(Cc2cccc(C(F)(F)F)c2)ccn1)c1c(F)ccc2c1CCN2
InChIInChI=1S/C22H17F4N3O/c23-17-4-5-18-16(7-9-27-18)20(17)21(30)29-19-12-14(6-8-28-19)10-13-2-1-3-15(11-13)22(24,25)26/h1-6,8,11-12,27H,7,9-10H2,(H,28,29,30)
InChIKeyYNUGPRQOEMRWFW-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655142
N-[4-[(3-cyano-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655110
N-(2-cyanoethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122655116
N-(3-hydroxypropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CID 164735182
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
CID 122654896
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343541
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122654860) is 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is O=C(Nc1cc(Cc2cccc(C(F)(F)F)c2)ccn1)c1c(F)ccc2c1CCN2.
What is the InChIKey of 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is YNUGPRQOEMRWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O/c23-17-4-5-18-16(7-9-27-18)20(17)21(30)29-19-12-14(6-8-28-19)10-13-2-1-3-15(11-13)22(24,25)26/h1-6,8,11-12,27H,7,9-10H2,(H,28,29,30).
What are the key properties of 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 415.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122654860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).