N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

C20H21N3O2S — CID 91924445

IUPACN-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCc3ncc(-c4ccsc4)n3C2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-25-17-6-4-16(5-7-17)22-20(24)14-3-8-19-21-11-18(23(19)12-14)15-9-10-26-13-15/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,22,24)
InChIKeyFJJKVDKREUAJMN-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.21
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 91924445) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID91924445
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCc3ncc(-c4ccsc4)n3C2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-25-17-6-4-16(5-7-17)22-20(24)14-3-8-19-21-11-18(23(19)12-14)15-9-10-26-13-15/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,22,24)
InChIKeyFJJKVDKREUAJMN-UHFFFAOYSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (CID 91924445) is N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is CCOc1ccc(NC(=O)C2CCc3ncc(-c4ccsc4)n3C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FJJKVDKREUAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-25-17-6-4-16(5-7-17)22-20(24)14-3-8-19-21-11-18(23(19)12-14)15-9-10-26-13-15/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 91924445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).