1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide

C20H21N5O2S — CID 122285014

IUPAC1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCc1ccn2cc(-c3cccc(NS(=O)(=O)c4c(C)nn(C)c4C)c3)nc2c1
InChIInChI=1S/C20H21N5O2S/c1-13-8-9-25-12-18(21-19(25)10-13)16-6-5-7-17(11-16)23-28(26,27)20-14(2)22-24(4)15(20)3/h5-12,23H,1-4H3
InChIKeyOLDFBGSHLCWKJO-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.46
Rot. Bonds4

About 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 122285014) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID122285014
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCc1ccn2cc(-c3cccc(NS(=O)(=O)c4c(C)nn(C)c4C)c3)nc2c1
InChIInChI=1S/C20H21N5O2S/c1-13-8-9-25-12-18(21-19(25)10-13)16-6-5-7-17(11-16)23-28(26,27)20-14(2)22-24(4)15(20)3/h5-12,23H,1-4H3
InChIKeyOLDFBGSHLCWKJO-UHFFFAOYSA-N
XLogP3.46
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
CID 122284963
3,4-dimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 6494028
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butane-1-sulfonamide
CID 122284854
1-(4-chlorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285001
3,4-dichloro-2-methoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 983383
1-(2-fluorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285018
2-methoxy-5-[[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]sulfamoyl]benzamide
CID 122285031
4-[3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]benzamide
CID 141199028
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
1-ethyl-3,5-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284373
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106913044
3,5-dimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121090021

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide (CID 122285014) is 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide is Cc1ccn2cc(-c3cccc(NS(=O)(=O)c4c(C)nn(C)c4C)c3)nc2c1.
What is the InChIKey of 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is OLDFBGSHLCWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-13-8-9-25-12-18(21-19(25)10-13)16-6-5-7-17(11-16)23-28(26,27)20-14(2)22-24(4)15(20)3/h5-12,23H,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 395.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122285014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).