[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone

C17H11Cl2F3N4O — CID 162657389

IUPAC[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(C(F)(F)F)C1
InChIInChI=1S/C17H11Cl2F3N4O/c18-11-4-3-10(6-12(11)19)26-14-13(2-1-5-23-14)24-15(26)16(27)25-7-9(8-25)17(20,21)22/h1-6,9H,7-8H2
InChIKeyOLHYEXXRIJQQIO-UHFFFAOYSA-N
MW415.20 g/mol
LogP4.36
Rot. Bonds2

About [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone

[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 162657389) has the molecular formula C17H11Cl2F3N4O and a molecular weight of 415.20 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID162657389
Molecular FormulaC17H11Cl2F3N4O
Molecular Weight415.20 g/mol
Exact Mass414.03
IUPAC Name[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESO=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(C(F)(F)F)C1
InChIInChI=1S/C17H11Cl2F3N4O/c18-11-4-3-10(6-12(11)19)26-14-13(2-1-5-23-14)24-15(26)16(27)25-7-9(8-25)17(20,21)22/h1-6,9H,7-8H2
InChIKeyOLHYEXXRIJQQIO-UHFFFAOYSA-N
XLogP4.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-Dichloropyrido[1,2-a]benzimidazole
CID 915136
2-(4-Chlorophenyl)-N,N-dipropyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390227
2-(4-Chlorophenyl)-N,N-dibutyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390306
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
CID 14390388
N-(4-chlorophenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]acetamide
CID 44024165
N-(3,4-dichlorophenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]acetamide
CID 44024167
N-Cyclopropyl-3-(3,4-dichlorophenyl)-3H-imidazo[4,5-b]pyridine-2-carboxamide
CID 90343287
Azetidin-1-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
CID 162659990
3-(3,4-dichlorophenyl)-N-(3-fluorocyclobutyl)imidazo[4,5-b]pyridine-2-carboxamide
CID 162661928
[3-(3,4-Dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 162663642
[3-(3,4-Dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 162665987
6-Azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
CID 162666864

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone (CID 162657389) is [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone is O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(C(F)(F)F)C1.
What is the InChIKey of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is OLHYEXXRIJQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4O/c18-11-4-3-10(6-12(11)19)26-14-13(2-1-5-23-14)24-15(26)16(27)25-7-9(8-25)17(20,21)22/h1-6,9H,7-8H2.
What are the key properties of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone?
[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 415.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 162657389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).