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

C26H22F3N5O — CID 122653586

IUPACN-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C26H22F3N5O/c27-21-13-18(14-22(28)25(21)29)12-17-4-6-31-24(15-17)34-9-5-19-20(2-1-3-23(19)34)26(35)32-8-11-33-10-7-30-16-33/h1-4,6-7,10,13-16H,5,8-9,11-12H2,(H,32,35)
InChIKeyOSPZFSFFDGEHII-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.41
Rot. Bonds7

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

N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653586) has the molecular formula C26H22F3N5O and a molecular weight of 477.49 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653586
Molecular FormulaC26H22F3N5O
Molecular Weight477.49 g/mol
Exact Mass477.18
IUPAC NameN-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
InChIInChI=1S/C26H22F3N5O/c27-21-13-18(14-22(28)25(21)29)12-17-4-6-31-24(15-17)34-9-5-19-20(2-1-3-23(19)34)26(35)32-8-11-33-10-7-30-16-33/h1-4,6-7,10,13-16H,5,8-9,11-12H2,(H,32,35)
InChIKeyOSPZFSFFDGEHII-UHFFFAOYSA-N
XLogP4.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181558
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
N-[(2R)-3-fluoro-2-hydroxypropyl]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653587
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653688
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
1-[4-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653624
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
CID 122653411
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181575

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653586) is N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is O=C(NCCn1ccnc1)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is OSPZFSFFDGEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O/c27-21-13-18(14-22(28)25(21)29)12-17-4-6-31-24(15-17)34-9-5-19-20(2-1-3-23(19)34)26(35)32-8-11-33-10-7-30-16-33/h1-4,6-7,10,13-16H,5,8-9,11-12H2,(H,32,35).
What are the key properties of N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).