2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide

C31H30F2N4O3 — CID 91416714

IUPAC2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)N1C(=O)C(C)(C)CCC1c1cc(F)cc(F)c1
InChIInChI=1S/C31H30F2N4O3/c1-17(37-25(8-9-30(2,3)29(37)40)19-11-21(32)14-22(33)12-19)27(38)35-23-7-6-18-15-31(16-20(18)13-23)24-5-4-10-34-26(24)36-28(31)39/h4-7,10-14,17,25H,8-9,15-16H2,1-3H3,(H,35,38)(H,34,36,39)
InChIKeyXGBYMJICTUVUAM-UHFFFAOYSA-N
MW544.60 g/mol
LogP5.07
Rot. Bonds4

About 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide

2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide (PubChem CID 91416714) has the molecular formula C31H30F2N4O3 and a molecular weight of 544.60 g/mol. Its IUPAC name is 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide.

Molecular Properties

Compound Name2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
PubChem CID91416714
Molecular FormulaC31H30F2N4O3
Molecular Weight544.60 g/mol
Exact Mass544.23
IUPAC Name2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)N1C(=O)C(C)(C)CCC1c1cc(F)cc(F)c1
InChIInChI=1S/C31H30F2N4O3/c1-17(37-25(8-9-30(2,3)29(37)40)19-11-21(32)14-22(33)12-19)27(38)35-23-7-6-18-15-31(16-20(18)13-23)24-5-4-10-34-26(24)36-28(31)39/h4-7,10-14,17,25H,8-9,15-16H2,1-3H3,(H,35,38)(H,34,36,39)
InChIKeyXGBYMJICTUVUAM-UHFFFAOYSA-N
XLogP5.07
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.60
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
The IUPAC name of 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide (CID 91416714) is 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide.
What is the SMILES notation for 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
The canonical SMILES for 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide is CC(C(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)N1C(=O)C(C)(C)CCC1c1cc(F)cc(F)c1.
What is the InChIKey of 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
The InChIKey is XGBYMJICTUVUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N4O3/c1-17(37-25(8-9-30(2,3)29(37)40)19-11-21(32)14-22(33)12-19)27(38)35-23-7-6-18-15-31(16-20(18)13-23)24-5-4-10-34-26(24)36-28(31)39/h4-7,10-14,17,25H,8-9,15-16H2,1-3H3,(H,35,38)(H,34,36,39).
What are the key properties of 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide?
2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide has a molecular weight of 544.60 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)propanamide is sourced from PubChem (CID 91416714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).