N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

C29H23F3N4O4 — CID 59394510

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ccc3cc(Oc4cc(COCc5ccccc5)ncn4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C29H23F3N4O4/c1-38-26-10-7-21(14-24(26)29(30,31)32)35-28(37)36-12-11-20-13-23(8-9-25(20)36)40-27-15-22(33-18-34-27)17-39-16-19-5-3-2-4-6-19/h2-15,18H,16-17H2,1H3,(H,35,37)
InChIKeyHYDYEYAFBFRLPY-UHFFFAOYSA-N
MW548.52 g/mol
LogP7.05
Rot. Bonds8

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394510) has the molecular formula C29H23F3N4O4 and a molecular weight of 548.52 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394510
Molecular FormulaC29H23F3N4O4
Molecular Weight548.52 g/mol
Exact Mass548.17
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ccc3cc(Oc4cc(COCc5ccccc5)ncn4)ccc32)cc1C(F)(F)F
InChIInChI=1S/C29H23F3N4O4/c1-38-26-10-7-21(14-24(26)29(30,31)32)35-28(37)36-12-11-20-13-23(8-9-25(20)36)40-27-15-22(33-18-34-27)17-39-16-19-5-3-2-4-6-19/h2-15,18H,16-17H2,1H3,(H,35,37)
InChIKeyHYDYEYAFBFRLPY-UHFFFAOYSA-N
XLogP7.05
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.52
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394510) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is COc1ccc(NC(=O)n2ccc3cc(Oc4cc(COCc5ccccc5)ncn4)ccc32)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is HYDYEYAFBFRLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O4/c1-38-26-10-7-21(14-24(26)29(30,31)32)35-28(37)36-12-11-20-13-23(8-9-25(20)36)40-27-15-22(33-18-34-27)17-39-16-19-5-3-2-4-6-19/h2-15,18H,16-17H2,1H3,(H,35,37).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 548.52 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).