4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide

C22H22FN5O3S — CID 166350273

IUPAC4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide
SMILESCc1ccn2c(NS(=O)(=O)c3cc(C(=O)N(C)C)n(C)c3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H22FN5O3S/c1-14-9-10-28-19(11-14)24-20(15-5-7-16(23)8-6-15)21(28)25-32(30,31)17-12-18(27(4)13-17)22(29)26(2)3/h5-13,25H,1-4H3
InChIKeyZGIIFMDAASBDKD-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.29
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide

4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide (PubChem CID 166350273) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide
PubChem CID166350273
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC Name4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide
SMILESCc1ccn2c(NS(=O)(=O)c3cc(C(=O)N(C)C)n(C)c3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H22FN5O3S/c1-14-9-10-28-19(11-14)24-20(15-5-7-16(23)8-6-15)21(28)25-32(30,31)17-12-18(27(4)13-17)22(29)26(2)3/h5-13,25H,1-4H3
InChIKeyZGIIFMDAASBDKD-UHFFFAOYSA-N
XLogP3.29
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide (CID 166350273) is 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide is Cc1ccn2c(NS(=O)(=O)c3cc(C(=O)N(C)C)n(C)c3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide?
The InChIKey is ZGIIFMDAASBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c1-14-9-10-28-19(11-14)24-20(15-5-7-16(23)8-6-15)21(28)25-32(30,31)17-12-18(27(4)13-17)22(29)26(2)3/h5-13,25H,1-4H3.
What are the key properties of 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide?
4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide is sourced from PubChem (CID 166350273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).