2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide

C17H16F2N4O3 — CID 134493877

IUPAC2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)[nH]c2ncc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C17H16F2N4O3/c1-26-3-2-20-15(24)9-23-14-6-11(8-21-16(14)22-17(23)25)10-4-12(18)7-13(19)5-10/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyYIRITNYQQSBTBY-UHFFFAOYSA-N
MW362.34 g/mol
LogP1.43
Rot. Bonds6

About 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide

2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 134493877) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID134493877
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)[nH]c2ncc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C17H16F2N4O3/c1-26-3-2-20-15(24)9-23-14-6-11(8-21-16(14)22-17(23)25)10-4-12(18)7-13(19)5-10/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyYIRITNYQQSBTBY-UHFFFAOYSA-N
XLogP1.43
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide (CID 134493877) is 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(=O)[nH]c2ncc(-c3cc(F)cc(F)c3)cc21.
What is the InChIKey of 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is YIRITNYQQSBTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-26-3-2-20-15(24)9-23-14-6-11(8-21-16(14)22-17(23)25)10-4-12(18)7-13(19)5-10/h4-8H,2-3,9H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 362.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 134493877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).