5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

C19H24F2N4O3 — CID 118988726

IUPAC5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC1Cc2cc(F)ccc2N1C(=O)CC1NC(=O)C(F)C(N2CCOCC2)N1
InChIInChI=1S/C19H24F2N4O3/c1-11-8-12-9-13(20)2-3-14(12)25(11)16(26)10-15-22-18(17(21)19(27)23-15)24-4-6-28-7-5-24/h2-3,9,11,15,17-18,22H,4-8,10H2,1H3,(H,23,27)
InChIKeyDIJJOOGEBARDOS-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.54
Rot. Bonds3

About 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 118988726) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID118988726
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC1Cc2cc(F)ccc2N1C(=O)CC1NC(=O)C(F)C(N2CCOCC2)N1
InChIInChI=1S/C19H24F2N4O3/c1-11-8-12-9-13(20)2-3-14(12)25(11)16(26)10-15-22-18(17(21)19(27)23-15)24-4-6-28-7-5-24/h2-3,9,11,15,17-18,22H,4-8,10H2,1H3,(H,23,27)
InChIKeyDIJJOOGEBARDOS-UHFFFAOYSA-N
XLogP0.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one with MolForge

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Launch Full Analysis

Related Compounds

Sar-260301
CID 135565159
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648411
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648409
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648410
N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 11270795
2-[2-(4-fluoro-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 136041792
2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyrimidin-4-one
CID 136041805
2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136041817
2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 136264282
US9133168, Example 17c
CID 76528812
US9133168, Example 37c
CID 77462142
US9133168, Example 9e
CID 118988746

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 118988726) is 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is CC1Cc2cc(F)ccc2N1C(=O)CC1NC(=O)C(F)C(N2CCOCC2)N1.
What is the InChIKey of 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is DIJJOOGEBARDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-11-8-12-9-13(20)2-3-14(12)25(11)16(26)10-15-22-18(17(21)19(27)23-15)24-4-6-28-7-5-24/h2-3,9,11,15,17-18,22H,4-8,10H2,1H3,(H,23,27).
What are the key properties of 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 394.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 118988726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).