N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide

C24H23N5O4S — CID 90013259

IUPACN-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4n3)cc2)c1
InChIInChI=1S/C24H23N5O4S/c1-16(2)27-22(30)18-4-3-5-20(14-18)34(32,33)19-8-6-17(7-9-19)15-26-23(31)21-10-12-29-13-11-25-24(29)28-21/h3-14,16H,15H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyGOPYIIPTTQEXGQ-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.63
Rot. Bonds7

About N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide

N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 90013259) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID90013259
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4n3)cc2)c1
InChIInChI=1S/C24H23N5O4S/c1-16(2)27-22(30)18-4-3-5-20(14-18)34(32,33)19-8-6-17(7-9-19)15-26-23(31)21-10-12-29-13-11-25-24(29)28-21/h3-14,16H,15H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyGOPYIIPTTQEXGQ-UHFFFAOYSA-N
XLogP2.63
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[3-(2-methylpropylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610648
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-(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-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90012908
N-[(4-naphthalen-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943499
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609844

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide (CID 90013259) is N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide is CC(C)NC(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4n3)cc2)c1.
What is the InChIKey of N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is GOPYIIPTTQEXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16(2)27-22(30)18-4-3-5-20(14-18)34(32,33)19-8-6-17(7-9-19)15-26-23(31)21-10-12-29-13-11-25-24(29)28-21/h3-14,16H,15H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 90013259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).