N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide

C21H22F2N4O2 — CID 52912123

IUPACN-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
SMILESCc1cncc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4cc(F)cc(F)c4)C3=O)C2)n1
InChIInChI=1S/C21H22F2N4O2/c1-13-11-24-12-18(25-13)19(28)26-16-3-2-4-21(10-16)5-6-27(20(21)29)17-8-14(22)7-15(23)9-17/h7-9,11-12,16H,2-6,10H2,1H3,(H,26,28)/t16-,21+/m1/s1
InChIKeyRCILURKUKYQQCL-IERDGZPVSA-N
MW400.43 g/mol
LogP3.16
Rot. Bonds3

About N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide

N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide (PubChem CID 52912123) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
PubChem CID52912123
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
SMILESCc1cncc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4cc(F)cc(F)c4)C3=O)C2)n1
InChIInChI=1S/C21H22F2N4O2/c1-13-11-24-12-18(25-13)19(28)26-16-3-2-4-21(10-16)5-6-27(20(21)29)17-8-14(22)7-15(23)9-17/h7-9,11-12,16H,2-6,10H2,1H3,(H,26,28)/t16-,21+/m1/s1
InChIKeyRCILURKUKYQQCL-IERDGZPVSA-N
XLogP3.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67108524
6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52911401
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 52912119
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
6-methyl-N-[(5S,7R)-2-(5-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912074
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
N-[2-(3,5-difluorophenyl)-8-fluoro-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 67108498
N-[2-(3,5-difluorophenyl)-7-hydroxy-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyridine-4-carboxamide
CID 141292635
N-[2-(6-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 75951010

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide (CID 52912123) is N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide is Cc1cncc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4cc(F)cc(F)c4)C3=O)C2)n1.
What is the InChIKey of N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide?
The InChIKey is RCILURKUKYQQCL-IERDGZPVSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-13-11-24-12-18(25-13)19(28)26-16-3-2-4-21(10-16)5-6-27(20(21)29)17-8-14(22)7-15(23)9-17/h7-9,11-12,16H,2-6,10H2,1H3,(H,26,28)/t16-,21+/m1/s1.
What are the key properties of N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide?
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide is sourced from PubChem (CID 52912123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).