(2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate

C19H21F2N3O5 — CID 135238477

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCC2(CC1)CC(Oc1ccc(C(F)F)nc1)C2
InChIInChI=1S/C19H21F2N3O5/c20-17(21)14-2-1-12(11-22-14)28-13-9-19(10-13)5-7-23(8-6-19)18(27)29-24-15(25)3-4-16(24)26/h1-2,11,13,17H,3-10H2
InChIKeyLZZMQCWOYHBSIB-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.84
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 135238477) has the molecular formula C19H21F2N3O5 and a molecular weight of 409.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID135238477
Molecular FormulaC19H21F2N3O5
Molecular Weight409.39 g/mol
Exact Mass409.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCC2(CC1)CC(Oc1ccc(C(F)F)nc1)C2
InChIInChI=1S/C19H21F2N3O5/c20-17(21)14-2-1-12(11-22-14)28-13-9-19(10-13)5-7-23(8-6-19)18(27)29-24-15(25)3-4-16(24)26/h1-2,11,13,17H,3-10H2
InChIKeyLZZMQCWOYHBSIB-UHFFFAOYSA-N
XLogP2.84
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

US10858373, Example 14
CID 135238284
Ethyl 2-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 155552304
US10662159, Example 64
CID 138619213
1-[(5-Ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione
CID 71855809
2-[(5-Ethoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 71859714
1-[(5-Ethoxy-2-pyridinyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 71971974
7-[3-(Pyridin-3-yloxy)propyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72888983
1-[(5-Ethoxy-2-pyridinyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 75425632
7-[(1-Methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
CID 97451287
1-[(5-Ethoxy-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 71855810
7-[(1-Methylpyrrol-2-yl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 118745623
7-[(6-Methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 118745624

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate (CID 135238477) is (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate is O=C(ON1C(=O)CCC1=O)N1CCC2(CC1)CC(Oc1ccc(C(F)F)nc1)C2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is LZZMQCWOYHBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5/c20-17(21)14-2-1-12(11-22-14)28-13-9-19(10-13)5-7-23(8-6-19)18(27)29-24-15(25)3-4-16(24)26/h1-2,11,13,17H,3-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 409.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[6-(difluoromethyl)-3-pyridinyl]oxy]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 135238477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).