1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide

C21H23N5O2S — CID 122284580

IUPAC1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C
InChIInChI=1S/C21H23N5O2S/c1-5-26-16(4)20(15(3)23-26)29(27,28)24-18-10-8-17(9-11-18)19-13-25-12-6-7-14(2)21(25)22-19/h6-13,24H,5H2,1-4H3
InChIKeyMQOFEAHEGWMPRB-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.94
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 122284580) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID122284580
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C
InChIInChI=1S/C21H23N5O2S/c1-5-26-16(4)20(15(3)23-26)29(27,28)24-18-10-8-17(9-11-18)19-13-25-12-6-7-14(2)21(25)22-19/h6-13,24H,5H2,1-4H3
InChIKeyMQOFEAHEGWMPRB-UHFFFAOYSA-N
XLogP3.94
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3,5-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284373
3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 122284562
5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 122284540
1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284552
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122284597
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 700051
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 71688203
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284592
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
CID 122286063
2-(4-chlorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 121028746
1-ethyl-3,5-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-4-sulfonamide
CID 122290530

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide (CID 122284580) is 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is MQOFEAHEGWMPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-5-26-16(4)20(15(3)23-26)29(27,28)24-18-10-8-17(9-11-18)19-13-25-12-6-7-14(2)21(25)22-19/h6-13,24H,5H2,1-4H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 409.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122284580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).