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

C22H25FN4O3 — CID 52911691

IUPACN-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CCCC3(C2)C(=O)N(c2ccc(F)cc2)CC3(C)O)n1
InChIInChI=1S/C22H25FN4O3/c1-14-24-11-9-18(25-14)19(28)26-16-4-3-10-22(12-16)20(29)27(13-21(22,2)30)17-7-5-15(23)6-8-17/h5-9,11,16,30H,3-4,10,12-13H2,1-2H3,(H,26,28)
InChIKeyJIXHCGYLNOJBHD-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.38
Rot. Bonds3

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

N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 52911691) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID52911691
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC2CCCC3(C2)C(=O)N(c2ccc(F)cc2)CC3(C)O)n1
InChIInChI=1S/C22H25FN4O3/c1-14-24-11-9-18(25-14)19(28)26-16-4-3-10-22(12-16)20(29)27(13-21(22,2)30)17-7-5-15(23)6-8-17/h5-9,11,16,30H,3-4,10,12-13H2,1-2H3,(H,26,28)
InChIKeyJIXHCGYLNOJBHD-UHFFFAOYSA-N
XLogP2.38
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-2-(4-fluorophenyl)-4-methyl-6-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
CID 52911628
N-[7-fluoro-2-(4-fluorophenyl)-7-methyl-1-oxo-2-azaspiro[4.5]decan-9-yl]-2-methylpyrimidine-4-carboxamide
CID 67108864
N-[2-(3,5-difluorophenyl)-8-fluoro-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide
CID 67108498
N-[(5S,7S)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 67108689
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,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 52912119
2-methyl-N-[(1R,3R)-3-[[2-(2-methylimidazol-1-yl)acetyl]amino]cyclohexyl]pyrimidine-4-carboxamide
CID 167956137
2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 52911567
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
2-(3,5-difluorophenyl)-8-hydroxy-7-[2-(2-methylpyrimidin-4-yl)-2-oxoethyl]-2-azaspiro[4.5]decan-1-one
CID 58237210
N-[(5S,7S)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide
CID 58237145
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide (CID 52911691) is N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NC2CCCC3(C2)C(=O)N(c2ccc(F)cc2)CC3(C)O)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is JIXHCGYLNOJBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-14-24-11-9-18(25-14)19(28)26-16-4-3-10-22(12-16)20(29)27(13-21(22,2)30)17-7-5-15(23)6-8-17/h5-9,11,16,30H,3-4,10,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-hydroxy-4-methyl-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 52911691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).