N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C21H17FN4O3S — CID 90012908

IUPACN-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)ccc1F
InChIInChI=1S/C21H17FN4O3S/c1-14-10-18(6-7-19(14)22)30(28,29)17-4-2-15(3-5-17)11-24-20(27)16-12-25-21-23-8-9-26(21)13-16/h2-10,12-13H,11H2,1H3,(H,24,27)
InChIKeyXPZYDXYKSDGHMT-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.94
Rot. Bonds5

About N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 90012908) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID90012908
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)ccc1F
InChIInChI=1S/C21H17FN4O3S/c1-14-10-18(6-7-19(14)22)30(28,29)17-4-2-15(3-5-17)11-24-20(27)16-12-25-21-23-8-9-26(21)13-16/h2-10,12-13H,11H2,1H3,(H,24,27)
InChIKeyXPZYDXYKSDGHMT-UHFFFAOYSA-N
XLogP2.94
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609844
N-[[4-[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610455
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
N-[[4-[3-(2-methylpropylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610648
N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613859
N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
N-[(4-naphthalen-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943499
N-[[4-(4-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90013144
N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943343
N-[[4-[4-(5-cyclononylpyrazolidin-1-yl)-2-fluorophenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 138592935
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
CID 159019243

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 90012908) is N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is Cc1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)ccc1F.
What is the InChIKey of N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is XPZYDXYKSDGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-14-10-18(6-7-19(14)22)30(28,29)17-4-2-15(3-5-17)11-24-20(27)16-12-25-21-23-8-9-26(21)13-16/h2-10,12-13H,11H2,1H3,(H,24,27).
What are the key properties of N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90012908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).