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

C13H16ClFN4O — CID 90112688

IUPAC8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(Cl)c(N2CCC3(CCNC3=O)CC2)c1F
InChIInChI=1S/C13H16ClFN4O/c14-8-7-18-11(16)9(15)10(8)19-5-2-13(3-6-19)1-4-17-12(13)20/h7H,1-6H2,(H2,16,18)(H,17,20)
InChIKeyZIVXRLYCKNNUJE-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.56
Rot. Bonds1

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

8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 90112688) has the molecular formula C13H16ClFN4O and a molecular weight of 298.75 g/mol. Its IUPAC name is 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID90112688
Molecular FormulaC13H16ClFN4O
Molecular Weight298.75 g/mol
Exact Mass298.10
IUPAC Name8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ncc(Cl)c(N2CCC3(CCNC3=O)CC2)c1F
InChIInChI=1S/C13H16ClFN4O/c14-8-7-18-11(16)9(15)10(8)19-5-2-13(3-6-19)1-4-17-12(13)20/h7H,1-6H2,(H2,16,18)(H,17,20)
InChIKeyZIVXRLYCKNNUJE-UHFFFAOYSA-N
XLogP1.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (CID 90112688) is 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is Nc1ncc(Cl)c(N2CCC3(CCNC3=O)CC2)c1F.
What is the InChIKey of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZIVXRLYCKNNUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN4O/c14-8-7-18-11(16)9(15)10(8)19-5-2-13(3-6-19)1-4-17-12(13)20/h7H,1-6H2,(H2,16,18)(H,17,20).
What are the key properties of 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 298.75 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-5-chloro-3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 90112688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).