N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide

C18H18ClFN4O2 — CID 68627201

IUPACN-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide
SMILESCC[C@@H](CNC(C)=O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C18H18ClFN4O2/c1-3-13(8-21-10(2)25)24-16-15(11-4-6-12(20)7-5-11)14(19)9-22-17(16)23-18(24)26/h4-7,9,13H,3,8H2,1-2H3,(H,21,25)(H,22,23,26)/t13-/m0/s1
InChIKeyAEFAIZQMZINKKZ-ZDUSSCGKSA-N
MW376.82 g/mol
LogP3.27
Rot. Bonds5

About N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide

N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide (PubChem CID 68627201) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide
PubChem CID68627201
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC NameN-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide
SMILESCC[C@@H](CNC(C)=O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C18H18ClFN4O2/c1-3-13(8-21-10(2)25)24-16-15(11-4-6-12(20)7-5-11)14(19)9-22-17(16)23-18(24)26/h4-7,9,13H,3,8H2,1-2H3,(H,21,25)(H,22,23,26)/t13-/m0/s1
InChIKeyAEFAIZQMZINKKZ-ZDUSSCGKSA-N
XLogP3.27
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide?
The IUPAC name of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide (CID 68627201) is N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide.
What is the SMILES notation for N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide?
The canonical SMILES for N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide is CC[C@@H](CNC(C)=O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.
What is the InChIKey of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide?
The InChIKey is AEFAIZQMZINKKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c1-3-13(8-21-10(2)25)24-16-15(11-4-6-12(20)7-5-11)14(19)9-22-17(16)23-18(24)26/h4-7,9,13H,3,8H2,1-2H3,(H,21,25)(H,22,23,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide?
N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide has a molecular weight of 376.82 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl]acetamide is sourced from PubChem (CID 68627201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).