5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C23H19F3N4O4 — CID 59596395

IUPAC5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCOCC(=O)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C23H19F3N4O4/c1-33-12-20(31)18-11-21(28-13-27-18)34-17-5-6-19-14(9-17)7-8-30(19)22(32)29-16-4-2-3-15(10-16)23(24,25)26/h2-6,9-11,13H,7-8,12H2,1H3,(H,29,32)
InChIKeyIINCNCCWIDTTFE-UHFFFAOYSA-N
MW472.42 g/mol
LogP4.71
Rot. Bonds6

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

5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 59596395) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID59596395
Molecular FormulaC23H19F3N4O4
Molecular Weight472.42 g/mol
Exact Mass472.14
IUPAC Name5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCOCC(=O)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C23H19F3N4O4/c1-33-12-20(31)18-11-21(28-13-27-18)34-17-5-6-19-14(9-17)7-8-30(19)22(32)29-16-4-2-3-15(10-16)23(24,25)26/h2-6,9-11,13H,7-8,12H2,1H3,(H,29,32)
InChIKeyIINCNCCWIDTTFE-UHFFFAOYSA-N
XLogP4.71
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 67406765
5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid
CID 158633098
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596417
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596340
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(2-hydroxypropylamino)-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 59596386
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
CID 54030708
N-(4-tert-butylphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 11711699
N,N-dimethyl-1-[6-[[1-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]-2,3-dihydroindol-5-yl]oxy]pyrimidin-4-yl]methanamine
CID 91412395
2-[4-[[5-(6-acetamidopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 67530725
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 59596395) is 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is COCC(=O)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is IINCNCCWIDTTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c1-33-12-20(31)18-11-21(28-13-27-18)34-17-5-6-19-14(9-17)7-8-30(19)22(32)29-16-4-2-3-15(10-16)23(24,25)26/h2-6,9-11,13H,7-8,12H2,1H3,(H,29,32).
What are the key properties of 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methoxyacetyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 59596395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).