1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C23H19F5N4O2 — CID 162654687

IUPAC1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H19F5N4O2/c24-15-11-13(10-14(12-15)23(26,27)28)20(25)18-4-6-30-22(31-18)32-8-5-16-17(2-1-3-19(16)32)21(34)29-7-9-33/h1-4,6,10-12,20,33H,5,7-9H2,(H,29,34)
InChIKeyJHSALYXRWZRQIF-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.11
Rot. Bonds6

About 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162654687) has the molecular formula C23H19F5N4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162654687
Molecular FormulaC23H19F5N4O2
Molecular Weight478.42 g/mol
Exact Mass478.14
IUPAC Name1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H19F5N4O2/c24-15-11-13(10-14(12-15)23(26,27)28)20(25)18-4-6-30-22(31-18)32-8-5-16-17(2-1-3-19(16)32)21(34)29-7-9-33/h1-4,6,10-12,20,33H,5,7-9H2,(H,29,34)
InChIKeyJHSALYXRWZRQIF-UHFFFAOYSA-N
XLogP4.11
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162663893
2-chloro-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidine;2-(2-chloropyrimidin-4-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylic acid;1-[1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile;methyl 1-[4-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-2-yl]-2,3-dihydroindole-4-carboxylate
CID 165017532
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 165004762
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
methyl 1-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-4-carboxylate
CID 122476316
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653586
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
(2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide
CID 143689138

Frequently Asked Questions

What is the IUPAC name of 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162654687) is 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is JHSALYXRWZRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N4O2/c24-15-11-13(10-14(12-15)23(26,27)28)20(25)18-4-6-30-22(31-18)32-8-5-16-17(2-1-3-19(16)32)21(34)29-7-9-33/h1-4,6,10-12,20,33H,5,7-9H2,(H,29,34).
What are the key properties of 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 478.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162654687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).