N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide

C22H24F2N4O2 — CID 67108864

IUPACN-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CC(C)(F)CC3(CCN(c4ccc(F)cc4)C3=O)C2)n1
InChIInChI=1S/C22H24F2N4O2/c1-14-25-9-7-18(26-14)19(29)27-16-11-21(2,24)13-22(12-16)8-10-28(20(22)30)17-5-3-15(23)4-6-17/h3-7,9,16H,8,10-13H2,1-2H3,(H,27,29)
InChIKeyDSLQPAOOQMIVQK-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.36
Rot. Bonds3

About N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide

N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 67108864) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID67108864
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CC(C)(F)CC3(CCN(c4ccc(F)cc4)C3=O)C2)n1
InChIInChI=1S/C22H24F2N4O2/c1-14-25-9-7-18(26-14)19(29)27-16-11-21(2,24)13-22(12-16)8-10-28(20(22)30)17-5-3-15(23)4-6-17/h3-7,9,16H,8,10-13H2,1-2H3,(H,27,29)
InChIKeyDSLQPAOOQMIVQK-UHFFFAOYSA-N
XLogP3.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 52911691
N-[2-(3,5-difluorophenyl)-8-fluoro-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 67108498
N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
CID 52911628
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-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide
CID 67108409
2-(3,5-difluorophenyl)-8-hydroxy-7-[2-(2-methylpyrimidin-4-yl)-2-oxoethyl]-2-azaspiro[4.5]decan-1-one
CID 58237210
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-[(5S,7S)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 67108689
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
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
2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 52911567

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide (CID 67108864) is N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NC2CC(C)(F)CC3(CCN(c4ccc(F)cc4)C3=O)C2)n1.
What is the InChIKey of N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is DSLQPAOOQMIVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-14-25-9-7-18(26-14)19(29)27-16-11-21(2,24)13-22(12-16)8-10-28(20(22)30)17-5-3-15(23)4-6-17/h3-7,9,16H,8,10-13H2,1-2H3,(H,27,29).
What are the key properties of N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide?
N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 67108864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).