N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

C23H24N4O4S — CID 155537065

IUPACN-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
SMILESCOCCOCCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C23H24N4O4S/c1-29-9-10-30-8-7-24-23(28)17-12-20(32-15-17)16-11-19-22(25-13-16)27-21(26-19)14-31-18-5-3-2-4-6-18/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyFUHUDOLOHUNNKR-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.66
Rot. Bonds11

About N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (PubChem CID 155537065) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
PubChem CID155537065
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
SMILESCOCCOCCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C23H24N4O4S/c1-29-9-10-30-8-7-24-23(28)17-12-20(32-15-17)16-11-19-22(25-13-16)27-21(26-19)14-31-18-5-3-2-4-6-18/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyFUHUDOLOHUNNKR-UHFFFAOYSA-N
XLogP3.66
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
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 N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (CID 155537065) is N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is COCCOCCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The InChIKey is FUHUDOLOHUNNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-29-9-10-30-8-7-24-23(28)17-12-20(32-15-17)16-11-19-22(25-13-16)27-21(26-19)14-31-18-5-3-2-4-6-18/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.66, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 155537065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).