7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C16H24F2N4O2 — CID 131694466

IUPAC7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(Cc3cnn(C)c3)CC(F)(F)C2)C1=O
InChIInChI=1S/C16H24F2N4O2/c1-20-8-13(7-19-20)9-21-11-15(10-16(17,18)12-21)3-4-22(14(15)23)5-6-24-2/h7-8H,3-6,9-12H2,1-2H3
InChIKeyGYGWPINIHZONLB-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.13
Rot. Bonds5

About 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694466) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694466
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(Cc3cnn(C)c3)CC(F)(F)C2)C1=O
InChIInChI=1S/C16H24F2N4O2/c1-20-8-13(7-19-20)9-21-11-15(10-16(17,18)12-21)3-4-22(14(15)23)5-6-24-2/h7-8H,3-6,9-12H2,1-2H3
InChIKeyGYGWPINIHZONLB-UHFFFAOYSA-N
XLogP1.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131694466) is 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CN(Cc3cnn(C)c3)CC(F)(F)C2)C1=O.
What is the InChIKey of 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is GYGWPINIHZONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-20-8-13(7-19-20)9-21-11-15(10-16(17,18)12-21)3-4-22(14(15)23)5-6-24-2/h7-8H,3-6,9-12H2,1-2H3.
What are the key properties of 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 342.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).