1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide

C21H16F3N3O — CID 145181575

IUPAC1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C21H16F3N3O/c22-17-9-12(10-18(23)20(17)24)8-13-11-14(4-6-26-13)27-7-5-15-16(21(25)28)2-1-3-19(15)27/h1-4,6,9-11H,5,7-8H2,(H2,25,28)
InChIKeyLOCSKGCVTJVJMN-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.88
Rot. Bonds4

About 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide

1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 145181575) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID145181575
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C21H16F3N3O/c22-17-9-12(10-18(23)20(17)24)8-13-11-14(4-6-26-13)27-7-5-15-16(21(25)28)2-1-3-19(15)27/h1-4,6,9-11H,5,7-8H2,(H2,25,28)
InChIKeyLOCSKGCVTJVJMN-UHFFFAOYSA-N
XLogP3.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 145181575) is 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is LOCSKGCVTJVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-17-9-12(10-18(23)20(17)24)8-13-11-14(4-6-26-13)27-7-5-15-16(21(25)28)2-1-3-19(15)27/h1-4,6,9-11H,5,7-8H2,(H2,25,28).
What are the key properties of 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 145181575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).