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

C23H20F4N4O2 — CID 162656501

IUPAC1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H20F4N4O2/c24-16-11-14(10-15(13-16)23(25,26)27)12-17-4-6-29-22(30-17)31-8-5-18-19(2-1-3-20(18)31)21(33)28-7-9-32/h1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33)
InChIKeySNPGFFQFTGVXLM-UHFFFAOYSA-N
MW460.43 g/mol
LogP3.64
Rot. Bonds6

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

1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162656501) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162656501
Molecular FormulaC23H20F4N4O2
Molecular Weight460.43 g/mol
Exact Mass460.15
IUPAC Name1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H20F4N4O2/c24-16-11-14(10-15(13-16)23(25,26)27)12-17-4-6-29-22(30-17)31-8-5-18-19(2-1-3-20(18)31)21(33)28-7-9-32/h1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33)
InChIKeySNPGFFQFTGVXLM-UHFFFAOYSA-N
XLogP3.64
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Aminopyrimidine amide, 13e
CID 16118605
Aminopyrimidine amide, 13c
CID 16118609
N-methyl-N-(2-((2-(1-oxoisoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
CID 44563037
N-(cyanomethyl)-4-(2-(4-morpholino-3-(trifluoromethyl)phenylamino)pyrimidin-4-yl)benzamide
CID 25059891
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-4-ylurea
CID 46908048
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 46942855
3-[2-[2-(2-hydroxyethylamino)pyrimidin-5-yl]ethynyl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 51037825
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
CID 67283615
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
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]amino]acetamide
CID 153385177
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-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162656501) is 1-[4-[[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-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is SNPGFFQFTGVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c24-16-11-14(10-15(13-16)23(25,26)27)12-17-4-6-29-22(30-17)31-8-5-18-19(2-1-3-20(18)31)21(33)28-7-9-32/h1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33).
What are the key properties of 1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162656501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).