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

C16H10Cl2F2N4O — CID 162665987

IUPAC[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)(F)C1
InChIInChI=1S/C16H10Cl2F2N4O/c17-10-4-3-9(6-11(10)18)24-13-12(2-1-5-21-13)22-14(24)15(25)23-7-16(19,20)8-23/h1-6H,7-8H2
InChIKeyKQDYNRPFUNNOAV-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.82
Rot. Bonds2

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

[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 162665987) has the molecular formula C16H10Cl2F2N4O and a molecular weight of 383.19 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID162665987
Molecular FormulaC16H10Cl2F2N4O
Molecular Weight383.19 g/mol
Exact Mass382.02
IUPAC Name[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)(F)C1
InChIInChI=1S/C16H10Cl2F2N4O/c17-10-4-3-9(6-11(10)18)24-13-12(2-1-5-21-13)22-14(24)15(25)23-7-16(19,20)8-23/h1-6H,7-8H2
InChIKeyKQDYNRPFUNNOAV-UHFFFAOYSA-N
XLogP3.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo[1,2-a]pyridine,2-[[4-(3,4-dichlorophenyl)-1-piperazinyl]methyl]-
CID 11516033
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
[3-(3,4-Dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 162657389
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

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone (CID 162665987) is [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone is O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)(F)C1.
What is the InChIKey of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is KQDYNRPFUNNOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N4O/c17-10-4-3-9(6-11(10)18)24-13-12(2-1-5-21-13)22-14(24)15(25)23-7-16(19,20)8-23/h1-6H,7-8H2.
What are the key properties of [3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone?
[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 383.19 g/mol, XLogP of 3.82, 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]-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 162665987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).