5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C36H37F2N5O7 — CID 154672294

IUPAC5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCOc1cc(-c2cc(C(F)F)c(=O)n(C)c2)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C36H37F2N5O7/c1-40-16-21(12-25(31(37)38)33(40)46)20-13-28(49-2)26(29(14-20)50-3)17-41-10-8-36(9-11-41)18-42(19-36)22-4-5-23-24(15-22)35(48)43(34(23)47)27-6-7-30(44)39-32(27)45/h4-5,12-16,27,31H,6-11,17-19H2,1-3H3,(H,39,44,45)
InChIKeyYCMWNWBEJYISDD-UHFFFAOYSA-N
MW689.72 g/mol
LogP3.51
Rot. Bonds8

About 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672294) has the molecular formula C36H37F2N5O7 and a molecular weight of 689.72 g/mol. Its IUPAC name is 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID154672294
Molecular FormulaC36H37F2N5O7
Molecular Weight689.72 g/mol
Exact Mass689.27
IUPAC Name5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCOc1cc(-c2cc(C(F)F)c(=O)n(C)c2)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C36H37F2N5O7/c1-40-16-21(12-25(31(37)38)33(40)46)20-13-28(49-2)26(29(14-20)50-3)17-41-10-8-36(9-11-41)18-42(19-36)22-4-5-23-24(15-22)35(48)43(34(23)47)27-6-7-30(44)39-32(27)45/h4-5,12-16,27,31H,6-11,17-19H2,1-3H3,(H,39,44,45)
InChIKeyYCMWNWBEJYISDD-UHFFFAOYSA-N
XLogP3.51
TPSA130.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500689.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672294) is 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cc(C(F)F)c(=O)n(C)c2)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is YCMWNWBEJYISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N5O7/c1-40-16-21(12-25(31(37)38)33(40)46)20-13-28(49-2)26(29(14-20)50-3)17-41-10-8-36(9-11-41)18-42(19-36)22-4-5-23-24(15-22)35(48)43(34(23)47)27-6-7-30(44)39-32(27)45/h4-5,12-16,27,31H,6-11,17-19H2,1-3H3,(H,39,44,45).
What are the key properties of 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 689.72 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).