N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H21ClFN5O2 — CID 122672295

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1c[nH]c2nccnc12
InChIInChI=1S/C22H21ClFN5O2/c23-16-11-13(24)1-2-17(16)29-10-7-22(21(29)31)5-3-14(4-6-22)28-20(30)15-12-27-19-18(15)25-8-9-26-19/h1-2,8-9,11-12,14H,3-7,10H2,(H,26,27)(H,28,30)
InChIKeyADLFFBWHRRGIPF-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.85
Rot. Bonds3

About N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 122672295) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID122672295
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1c[nH]c2nccnc12
InChIInChI=1S/C22H21ClFN5O2/c23-16-11-13(24)1-2-17(16)29-10-7-22(21(29)31)5-3-14(4-6-22)28-20(30)15-12-27-19-18(15)25-8-9-26-19/h1-2,8-9,11-12,14H,3-7,10H2,(H,26,27)(H,28,30)
InChIKeyADLFFBWHRRGIPF-UHFFFAOYSA-N
XLogP3.85
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
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
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942
N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
CID 134465621
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
CID 122672535
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
5-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679396
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-[2-[(2-chloro-4-fluorophenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134479310
4-N-[(5R)-1-(2-chloro-4-fluorophenyl)-2-oxoazonan-5-yl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134556634
N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
CID 148969048
N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide
CID 134479417
4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679290

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 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) is N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1c[nH]c2nccnc12.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ADLFFBWHRRGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c23-16-11-13(24)1-2-17(16)29-10-7-22(21(29)31)5-3-14(4-6-22)28-20(30)15-12-27-19-18(15)25-8-9-26-19/h1-2,8-9,11-12,14H,3-7,10H2,(H,26,27)(H,28,30).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122672295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).