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

C25H24F3N5O3 — CID 59394732

IUPAC5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3cc(CN4CCOCC4)ncn3)ccc21
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)18-2-1-3-19(13-18)31-24(34)33-7-6-17-12-21(4-5-22(17)33)36-23-14-20(29-16-30-23)15-32-8-10-35-11-9-32/h1-5,12-14,16H,6-11,15H2,(H,31,34)
InChIKeyIWXVRYUFRHROGD-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.71
Rot. Bonds5

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

5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 59394732) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID59394732
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3cc(CN4CCOCC4)ncn3)ccc21
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)18-2-1-3-19(13-18)31-24(34)33-7-6-17-12-21(4-5-22(17)33)36-23-14-20(29-16-30-23)15-32-8-10-35-11-9-32/h1-5,12-14,16H,6-11,15H2,(H,31,34)
InChIKeyIWXVRYUFRHROGD-UHFFFAOYSA-N
XLogP4.71
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 59394732) is 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(Oc3cc(CN4CCOCC4)ncn3)ccc21.
What is the InChIKey of 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is IWXVRYUFRHROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c26-25(27,28)18-2-1-3-19(13-18)31-24(34)33-7-6-17-12-21(4-5-22(17)33)36-23-14-20(29-16-30-23)15-32-8-10-35-11-9-32/h1-5,12-14,16H,6-11,15H2,(H,31,34).
What are the key properties of 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(morpholin-4-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 59394732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).