9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one

C17H26F2N4O2 — CID 131694468

IUPAC9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(Cc3cnn(C)c3C)CC(F)(F)C2)C1=O
InChIInChI=1S/C17H26F2N4O2/c1-13-14(8-20-21(13)2)9-22-11-16(10-17(18,19)12-22)4-5-23(15(16)24)6-7-25-3/h8H,4-7,9-12H2,1-3H3
InChIKeyUVPZSWIXTZIIBH-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.43
Rot. Bonds5

About 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one

9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694468) has the molecular formula C17H26F2N4O2 and a molecular weight of 356.42 g/mol. Its IUPAC name is 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694468
Molecular FormulaC17H26F2N4O2
Molecular Weight356.42 g/mol
Exact Mass356.20
IUPAC Name9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(Cc3cnn(C)c3C)CC(F)(F)C2)C1=O
InChIInChI=1S/C17H26F2N4O2/c1-13-14(8-20-21(13)2)9-22-11-16(10-17(18,19)12-22)4-5-23(15(16)24)6-7-25-3/h8H,4-7,9-12H2,1-3H3
InChIKeyUVPZSWIXTZIIBH-UHFFFAOYSA-N
XLogP1.43
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131694468) is 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CN(Cc3cnn(C)c3C)CC(F)(F)C2)C1=O.
What is the InChIKey of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is UVPZSWIXTZIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O2/c1-13-14(8-20-21(13)2)9-22-11-16(10-17(18,19)12-22)4-5-23(15(16)24)6-7-25-3/h8H,4-7,9-12H2,1-3H3.
What are the key properties of 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one?
9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 356.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1,5-dimethylpyrazol-4-yl)methyl]-7,7-difluoro-2-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).