2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

C20H25F3N4O3 — CID 76534650

IUPAC2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC1Cc2c(cccc2C(F)(F)F)N1C(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C20H25F3N4O3/c1-12-9-13-14(20(21,22)23)3-2-4-15(13)27(12)19(29)10-16-24-17(11-18(28)25-16)26-5-7-30-8-6-26/h2-4,12,16-17,24H,5-11H2,1H3,(H,25,28)
InChIKeyPXRGWWSTGYAJEM-UHFFFAOYSA-N
MW426.44 g/mol
LogP1.47
Rot. Bonds3

About 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 76534650) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID76534650
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC1Cc2c(cccc2C(F)(F)F)N1C(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C20H25F3N4O3/c1-12-9-13-14(20(21,22)23)3-2-4-15(13)27(12)19(29)10-16-24-17(11-18(28)25-16)26-5-7-30-8-6-26/h2-4,12,16-17,24H,5-11H2,1H3,(H,25,28)
InChIKeyPXRGWWSTGYAJEM-UHFFFAOYSA-N
XLogP1.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 76534650) is 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is CC1Cc2c(cccc2C(F)(F)F)N1C(=O)CC1NC(=O)CC(N2CCOCC2)N1.
What is the InChIKey of 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is PXRGWWSTGYAJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-12-9-13-14(20(21,22)23)3-2-4-15(13)27(12)19(29)10-16-24-17(11-18(28)25-16)26-5-7-30-8-6-26/h2-4,12,16-17,24H,5-11H2,1H3,(H,25,28).
What are the key properties of 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 426.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 76534650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).