N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

C23H23N3O3S — CID 46943161

IUPACN-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1cccs1
InChIInChI=1S/C23H23N3O3S/c1-3-18-22(25(2)23(27)20-12-8-16-30-20)26-13-7-11-19(21(26)24-18)29-15-14-28-17-9-5-4-6-10-17/h4-13,16H,3,14-15H2,1-2H3
InChIKeyDVGUCSGETKKJAO-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.69
Rot. Bonds8

About N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (PubChem CID 46943161) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
PubChem CID46943161
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1cccs1
InChIInChI=1S/C23H23N3O3S/c1-3-18-22(25(2)23(27)20-12-8-16-30-20)26-13-7-11-19(21(26)24-18)29-15-14-28-17-9-5-4-6-10-17/h4-13,16H,3,14-15H2,1-2H3
InChIKeyDVGUCSGETKKJAO-UHFFFAOYSA-N
XLogP4.69
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (CID 46943161) is N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is DVGUCSGETKKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-18-22(25(2)23(27)20-12-8-16-30-20)26-13-7-11-19(21(26)24-18)29-15-14-28-17-9-5-4-6-10-17/h4-13,16H,3,14-15H2,1-2H3.
What are the key properties of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 46943161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).