3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one

C16H24F2N4O — CID 167301190

IUPAC3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C16H24F2N4O/c1-10(2)11-8-20-13(14(23)21-11)22-5-3-15(4-6-22)9-16(17,18)7-12(15)19/h8,10,12H,3-7,9,19H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyAKCRZRDFZSSBNP-GFCCVEGCSA-N
MW326.39 g/mol
LogP2.24
Rot. Bonds2

About 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one

3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 167301190) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID167301190
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)c(=O)[nH]1
InChIInChI=1S/C16H24F2N4O/c1-10(2)11-8-20-13(14(23)21-11)22-5-3-15(4-6-22)9-16(17,18)7-12(15)19/h8,10,12H,3-7,9,19H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyAKCRZRDFZSSBNP-GFCCVEGCSA-N
XLogP2.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one (CID 167301190) is 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)c(=O)[nH]1.
What is the InChIKey of 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is AKCRZRDFZSSBNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-10(2)11-8-20-13(14(23)21-11)22-5-3-15(4-6-22)9-16(17,18)7-12(15)19/h8,10,12H,3-7,9,19H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 326.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 167301190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).