[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate

C25H19F3N6O4 — CID 129018228

IUPAC[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)On1ccc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc21
InChIInChI=1S/C25H19F3N6O4/c26-25(27,28)21-12-22(33-32-21)31-24(35)38-34-9-8-17-10-19(6-7-20(17)34)37-23-11-18(29-15-30-23)14-36-13-16-4-2-1-3-5-16/h1-12,15H,13-14H2,(H2,31,32,33,35)
InChIKeyOMJIRBHUNSFBFN-UHFFFAOYSA-N
MW524.46 g/mol
LogP5.34
Rot. Bonds8

About [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate

[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate (PubChem CID 129018228) has the molecular formula C25H19F3N6O4 and a molecular weight of 524.46 g/mol. Its IUPAC name is [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
PubChem CID129018228
Molecular FormulaC25H19F3N6O4
Molecular Weight524.46 g/mol
Exact Mass524.14
IUPAC Name[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)On1ccc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc21
InChIInChI=1S/C25H19F3N6O4/c26-25(27,28)21-12-22(33-32-21)31-24(35)38-34-9-8-17-10-19(6-7-20(17)34)37-23-11-18(29-15-30-23)14-36-13-16-4-2-1-3-5-16/h1-12,15H,13-14H2,(H2,31,32,33,35)
InChIKeyOMJIRBHUNSFBFN-UHFFFAOYSA-N
XLogP5.34
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
The IUPAC name of [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate (CID 129018228) is [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate.
What is the SMILES notation for [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
The canonical SMILES for [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate is O=C(Nc1cc(C(F)(F)F)[nH]n1)On1ccc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc21.
What is the InChIKey of [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
The InChIKey is OMJIRBHUNSFBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O4/c26-25(27,28)21-12-22(33-32-21)31-24(35)38-34-9-8-17-10-19(6-7-20(17)34)37-23-11-18(29-15-30-23)14-36-13-16-4-2-1-3-5-16/h1-12,15H,13-14H2,(H2,31,32,33,35).
What are the key properties of [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate has a molecular weight of 524.46 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate is sourced from PubChem (CID 129018228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).