1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide

C24H22F4N4O2 — CID 162649639

IUPAC1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C24H22F4N4O2/c1-34-8-6-29-23(33)20-3-2-4-21-19(20)5-7-32(21)22-13-18(30-14-31-22)11-15-9-16(24(26,27)28)12-17(25)10-15/h2-4,9-10,12-14H,5-8,11H2,1H3,(H,29,33)
InChIKeyNYBWCJONWGAWGX-UHFFFAOYSA-N
MW474.46 g/mol
LogP4.30
Rot. Bonds7

About 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide

1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162649639) has the molecular formula C24H22F4N4O2 and a molecular weight of 474.46 g/mol. Its IUPAC name is 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162649639
Molecular FormulaC24H22F4N4O2
Molecular Weight474.46 g/mol
Exact Mass474.17
IUPAC Name1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C24H22F4N4O2/c1-34-8-6-29-23(33)20-3-2-4-21-19(20)5-7-32(21)22-13-18(30-14-31-22)11-15-9-16(24(26,27)28)12-17(25)10-15/h2-4,9-10,12-14H,5-8,11H2,1H3,(H,29,33)
InChIKeyNYBWCJONWGAWGX-UHFFFAOYSA-N
XLogP4.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Tert-Butylphenyl)-4-Methyl-3-[6-(Morpholin-4-Yl)pyrimidin-4-Yl]benzamide
CID 129010136
3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl}-N,N-dimethylbenzamide
CID 23647109
N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 78325057
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295666
N-methyl-N-(2-((2-(1-oxoisoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
CID 44563037
3-[4-[3-(Morpholine-4-carbonyl)anilino]quinazolin-6-yl]-5-(trifluoromethyl)benzamide
CID 137644139
N-(3-(1-(6-(2-methoxyethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 46880098
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-4-ylurea
CID 46908048
3-[[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 118732089
N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]-2,3-dihydroindole-4-carboxamide
CID 122653730
4-methyl-3-[[1-[6-(methylamino)pyrimidin-4-yl]cyclopropanecarbonyl]amino]-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 137652367
5-[[4-[(4-Aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydroisoindol-1-one
CID 155668682

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162649639) is 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide is COCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is NYBWCJONWGAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O2/c1-34-8-6-29-23(33)20-3-2-4-21-19(20)5-7-32(21)22-13-18(30-14-31-22)11-15-9-16(24(26,27)28)12-17(25)10-15/h2-4,9-10,12-14H,5-8,11H2,1H3,(H,29,33).
What are the key properties of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162649639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).