N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide

C20H23N7O3S — CID 59299227

IUPACN-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2cc3nc(C)cn3c(Nc3cc(C)[nH]n3)n2)ccc1OC
InChIInChI=1S/C20H23N7O3S/c1-5-21-31(28,29)17-9-14(6-7-16(17)30-4)15-10-19-22-13(3)11-27(19)20(23-15)24-18-8-12(2)25-26-18/h6-11,21H,5H2,1-4H3,(H2,23,24,25,26)
InChIKeyVEWQTUAHLOYOMJ-UHFFFAOYSA-N
MW441.52 g/mol
LogP2.79
Rot. Bonds7

About N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide

N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide (PubChem CID 59299227) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide
PubChem CID59299227
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC NameN-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2cc3nc(C)cn3c(Nc3cc(C)[nH]n3)n2)ccc1OC
InChIInChI=1S/C20H23N7O3S/c1-5-21-31(28,29)17-9-14(6-7-16(17)30-4)15-10-19-22-13(3)11-27(19)20(23-15)24-18-8-12(2)25-26-18/h6-11,21H,5H2,1-4H3,(H2,23,24,25,26)
InChIKeyVEWQTUAHLOYOMJ-UHFFFAOYSA-N
XLogP2.79
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 59299176
[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
CID 59299184
7-[3-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)phenyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59298995
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
7-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-7-[3-(3-methylimidazol-4-yl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 69328154
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87343896
N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 50751786
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90547695
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822071
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide (CID 59299227) is N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide is CCNS(=O)(=O)c1cc(-c2cc3nc(C)cn3c(Nc3cc(C)[nH]n3)n2)ccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide?
The InChIKey is VEWQTUAHLOYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c1-5-21-31(28,29)17-9-14(6-7-16(17)30-4)15-10-19-22-13(3)11-27(19)20(23-15)24-18-8-12(2)25-26-18/h6-11,21H,5H2,1-4H3,(H2,23,24,25,26).
What are the key properties of N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide?
N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide has a molecular weight of 441.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide is sourced from PubChem (CID 59299227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).