ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

C21H18N4O4S — CID 52936849

IUPACethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
InChIInChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
InChIKeySEKOTFCHZNXZMM-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.37
Rot. Bonds6

About ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 52936849) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID52936849
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Nameethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12
InChIInChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
InChIKeySEKOTFCHZNXZMM-UHFFFAOYSA-N
XLogP3.37
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 52936849) is ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cn12.
What is the InChIKey of ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is SEKOTFCHZNXZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3.
What are the key properties of ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 422.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[5-(benzenesulfonamido)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 52936849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).