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

C20H21F2N3O3 — CID 160884209

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-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 160884209) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 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.

Molecular Properties

• Compound Name: 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
• PubChem CID: 160884209
• Molecular Formula: C20H21F2N3O3
• Molecular Weight: 389.40 g/mol
• Exact Mass: 389.16
• IUPAC Name: 2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
• SMILES: C[C@@H]1Cc2c(ccc(F)c2F)N1C(=O)CC1=NC(N2CCOCC2)=CC(=O)C1
• InChI: InChI=1S/C20H21F2N3O3/c1-12-8-15-17(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/h2-3,11-12H,4-10H2,1H3/t12-/m1/s1
• InChIKey: SSHLRAYONYGNML-GFCCVEGCSA-N
• XLogP: 2.22
• TPSA: 62.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.40
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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?

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 (CID 160884209) is 2-[2-[(2R)-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?

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 is 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?

The InChIKey is SSHLRAYONYGNML-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-12-8-15-17(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/h2-3,11-12H,4-10H2,1H3/t12-/m1/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-[(2R)-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 389.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 160884209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).