8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C12H14ClFN4O2 — CID 90113148

IUPAC8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESNc1ncc(Cl)c(N2CCC3(CC2)CNC(=O)O3)c1F
InChIInChI=1S/C12H14ClFN4O2/c13-7-5-16-10(15)8(14)9(7)18-3-1-12(2-4-18)6-17-11(19)20-12/h5H,1-4,6H2,(H2,15,16)(H,17,19)
InChIKeyOCXZIOAYXQFSOE-UHFFFAOYSA-N
MW300.72 g/mol
LogP1.54
Rot. Bonds1

About 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 90113148) has the molecular formula C12H14ClFN4O2 and a molecular weight of 300.72 g/mol. Its IUPAC name is 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID90113148
Molecular FormulaC12H14ClFN4O2
Molecular Weight300.72 g/mol
Exact Mass300.08
IUPAC Name8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESNc1ncc(Cl)c(N2CCC3(CC2)CNC(=O)O3)c1F
InChIInChI=1S/C12H14ClFN4O2/c13-7-5-16-10(15)8(14)9(7)18-3-1-12(2-4-18)6-17-11(19)20-12/h5H,1-4,6H2,(H2,15,16)(H,17,19)
InChIKeyOCXZIOAYXQFSOE-UHFFFAOYSA-N
XLogP1.54
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 90113148) is 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Nc1ncc(Cl)c(N2CCC3(CC2)CNC(=O)O3)c1F.
What is the InChIKey of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OCXZIOAYXQFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4O2/c13-7-5-16-10(15)8(14)9(7)18-3-1-12(2-4-18)6-17-11(19)20-12/h5H,1-4,6H2,(H2,15,16)(H,17,19).
What are the key properties of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 300.72 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 90113148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).