N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide

C17H16ClF3N4O2S — CID 134493655

IUPACN-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCn1c(=O)n(CC(=O)NCCCCl)c2cc(-c3ccc(C(F)(F)F)s3)cnc21
InChIInChI=1S/C17H16ClF3N4O2S/c1-24-15-11(25(16(24)27)9-14(26)22-6-2-5-18)7-10(8-23-15)12-3-4-13(28-12)17(19,20)21/h3-4,7-8H,2,5-6,9H2,1H3,(H,22,26)
InChIKeyOKKBVHGMVXDVQF-UHFFFAOYSA-N
MW432.86 g/mol
LogP3.23
Rot. Bonds6

About N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide

N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide (PubChem CID 134493655) has the molecular formula C17H16ClF3N4O2S and a molecular weight of 432.86 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
PubChem CID134493655
Molecular FormulaC17H16ClF3N4O2S
Molecular Weight432.86 g/mol
Exact Mass432.06
IUPAC NameN-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
SMILESCn1c(=O)n(CC(=O)NCCCCl)c2cc(-c3ccc(C(F)(F)F)s3)cnc21
InChIInChI=1S/C17H16ClF3N4O2S/c1-24-15-11(25(16(24)27)9-14(26)22-6-2-5-18)7-10(8-23-15)12-3-4-13(28-12)17(19,20)21/h3-4,7-8H,2,5-6,9H2,1H3,(H,22,26)
InChIKeyOKKBVHGMVXDVQF-UHFFFAOYSA-N
XLogP3.23
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493680
ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
CID 140869572
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-2-one
CID 134493948
3-methyl-1-(2-oxopropyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-b]pyridin-2-one
CID 162607643
N,N-dimethyl-2-[3-methyl-6-(5-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489939
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
CID 68522516
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
1-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]-3-methyl-6-[5-(trifluoromethyl)thiophen-3-yl]imidazo[4,5-b]pyridin-2-one
CID 134493841
1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]imidazo[4,5-b]pyridin-2-one
CID 134493766
N-(2-cyanoethyl)-2-[6-(3,5-dichlorophenyl)-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
CID 68522070

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide (CID 134493655) is N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide is Cn1c(=O)n(CC(=O)NCCCCl)c2cc(-c3ccc(C(F)(F)F)s3)cnc21.
What is the InChIKey of N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide?
The InChIKey is OKKBVHGMVXDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O2S/c1-24-15-11(25(16(24)27)9-14(26)22-6-2-5-18)7-10(8-23-15)12-3-4-13(28-12)17(19,20)21/h3-4,7-8H,2,5-6,9H2,1H3,(H,22,26).
What are the key properties of N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide?
N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide has a molecular weight of 432.86 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 134493655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).