6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

C21H24N4O5S — CID 176911200

IUPAC6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOc1cccnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2c1
InChIInChI=1S/C21H24N4O5S/c1-3-29-17-5-4-10-22-20(17)30-15-6-7-18-23-16(14-25(18)13-15)19(26)24-21(2)8-11-31(27,28)12-9-21/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3,(H,24,26)
InChIKeyMLVQOFWFZAEPOE-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.62
Rot. Bonds6

About 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 176911200) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID176911200
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOc1cccnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2c1
InChIInChI=1S/C21H24N4O5S/c1-3-29-17-5-4-10-22-20(17)30-15-6-7-18-23-16(14-25(18)13-15)19(26)24-21(2)8-11-31(27,28)12-9-21/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3,(H,24,26)
InChIKeyMLVQOFWFZAEPOE-UHFFFAOYSA-N
XLogP2.62
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 176911200) is 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is CCOc1cccnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cn2c1.
What is the InChIKey of 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MLVQOFWFZAEPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-3-29-17-5-4-10-22-20(17)30-15-6-7-18-23-16(14-25(18)13-15)19(26)24-21(2)8-11-31(27,28)12-9-21/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3,(H,24,26).
What are the key properties of 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 176911200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).