6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide

C20H19Cl2FN4O2 — CID 142335942

IUPAC6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cncc(Cl)n1
InChIInChI=1S/C20H19Cl2FN4O2/c21-14-9-12(23)1-2-16(14)27-8-7-20(19(27)29)5-3-13(4-6-20)25-18(28)15-10-24-11-17(22)26-15/h1-2,9-11,13H,3-8H2,(H,25,28)
InChIKeyGYLPZYZMYSOPNY-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.02
Rot. Bonds3

About 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide

6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide (PubChem CID 142335942) has the molecular formula C20H19Cl2FN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
PubChem CID142335942
Molecular FormulaC20H19Cl2FN4O2
Molecular Weight437.30 g/mol
Exact Mass436.09
IUPAC Name6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cncc(Cl)n1
InChIInChI=1S/C20H19Cl2FN4O2/c21-14-9-12(23)1-2-16(14)27-8-7-20(19(27)29)5-3-13(4-6-20)25-18(28)15-10-24-11-17(22)26-15/h1-2,9-11,13H,3-8H2,(H,25,28)
InChIKeyGYLPZYZMYSOPNY-UHFFFAOYSA-N
XLogP4.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
CID 122672535
N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134479642
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
CID 134465621
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 122672795
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
6-amino-N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 114035957
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide (CID 142335942) is 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide is O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide?
The InChIKey is GYLPZYZMYSOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN4O2/c21-14-9-12(23)1-2-16(14)27-8-7-20(19(27)29)5-3-13(4-6-20)25-18(28)15-10-24-11-17(22)26-15/h1-2,9-11,13H,3-8H2,(H,25,28).
What are the key properties of 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide?
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide has a molecular weight of 437.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 142335942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).