5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide

C20H24N4O3S — CID 155598604

IUPAC5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)nc3ccsc23)CC1
InChIInChI=1S/C20H24N4O3S/c1-26-9-10-27-15-4-2-14(3-5-15)22-20(25)16-12-18(24-8-7-21-13-24)23-17-6-11-28-19(16)17/h6-8,11-15H,2-5,9-10H2,1H3,(H,22,25)
InChIKeyJRACELUOQSAODQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.19
Rot. Bonds7

About 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide

5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide (PubChem CID 155598604) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide
PubChem CID155598604
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-n3ccnc3)nc3ccsc23)CC1
InChIInChI=1S/C20H24N4O3S/c1-26-9-10-27-15-4-2-14(3-5-15)22-20(25)16-12-18(24-8-7-21-13-24)23-17-6-11-28-19(16)17/h6-8,11-15H,2-5,9-10H2,1H3,(H,22,25)
InChIKeyJRACELUOQSAODQ-UHFFFAOYSA-N
XLogP3.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide (CID 155598604) is 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide is COCCOC1CCC(NC(=O)c2cc(-n3ccnc3)nc3ccsc23)CC1.
What is the InChIKey of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide?
The InChIKey is JRACELUOQSAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-26-9-10-27-15-4-2-14(3-5-15)22-20(25)16-12-18(24-8-7-21-13-24)23-17-6-11-28-19(16)17/h6-8,11-15H,2-5,9-10H2,1H3,(H,22,25).
What are the key properties of 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide?
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide is sourced from PubChem (CID 155598604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).