2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one

C40H42F4N6O6 — CID 160884208

IUPAC2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESC[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1.C[C@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1
InChIInChI=1S/2C20H21F2N3O3/c2*1-12-8-15-17(3-2-16(21)20(15)22)25(12)19(27)10-13-9-14(26)11-18(23-13)24-4-6-28-7-5-24/h2*2-3,11-12H,4-10H2,1H3/t2*12-/m10/s1
InChIKeySNKPDHBXRXMZLZ-IZIBOJBPSA-N
MW778.80 g/mol
LogP4.44
Rot. Bonds6

About 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one

2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 160884208) has the molecular formula C40H42F4N6O6 and a molecular weight of 778.80 g/mol. Its IUPAC name is 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID160884208
Molecular FormulaC40H42F4N6O6
Molecular Weight778.80 g/mol
Exact Mass778.31
IUPAC Name2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESC[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1.C[C@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1
InChIInChI=1S/2C20H21F2N3O3/c2*1-12-8-15-17(3-2-16(21)20(15)22)25(12)19(27)10-13-9-14(26)11-18(23-13)24-4-6-28-7-5-24/h2*2-3,11-12H,4-10H2,1H3/t2*12-/m10/s1
InChIKeySNKPDHBXRXMZLZ-IZIBOJBPSA-N
XLogP4.44
TPSA124.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.80
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160884209
2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-fluoro-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 57388369
2-(6-morpholin-4-yl-4-oxo-3H-pyridin-2-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 148949691
2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160582302
4-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 57410290
2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 147440937
2-[2-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158474103
2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 159000988
2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 161219072
2-[3-(4-fluoro-3-methoxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 148853210
2-[3-(3,5-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158411819
2-[3-(4-fluoro-2-hydroxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 153247883

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 160884208) is 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is C[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1.C[C@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1.
What is the InChIKey of 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is SNKPDHBXRXMZLZ-IZIBOJBPSA-N. The full InChI is InChI=1S/2C20H21F2N3O3/c2*1-12-8-15-17(3-2-16(21)20(15)22)25(12)19(27)10-13-9-14(26)11-18(23-13)24-4-6-28-7-5-24/h2*2-3,11-12H,4-10H2,1H3/t2*12-/m10/s1.
What are the key properties of 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 778.80 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 160884208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).