8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C17H23ClFN3O — CID 70741212

IUPAC8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O
InChIInChI=1S/C17H23ClFN3O/c1-12(2)22-11-17(6-4-15(22)23)5-3-7-21(10-17)16-14(19)8-13(18)9-20-16/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyWGKYICGDISWHBA-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.49
Rot. Bonds2

About 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one

8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70741212) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70741212
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC Name8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O
InChIInChI=1S/C17H23ClFN3O/c1-12(2)22-11-17(6-4-15(22)23)5-3-7-21(10-17)16-14(19)8-13(18)9-20-16/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyWGKYICGDISWHBA-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70741212) is 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is CC(C)N1CC2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O.
What is the InChIKey of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is WGKYICGDISWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O/c1-12(2)22-11-17(6-4-15(22)23)5-3-7-21(10-17)16-14(19)8-13(18)9-20-16/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 339.84 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70741212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).