3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide

C23H18ClFN4O2 — CID 46942753

IUPAC3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1
InChIInChI=1S/C23H18ClFN4O2/c1-28(2)23(31)16-5-3-4-14(8-16)17-10-20(27-13-30)22-26-11-21(29(22)12-17)15-6-7-19(25)18(24)9-15/h3-13H,1-2H3,(H,27,30)
InChIKeyXYFNKTTZGCPSJD-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.73
Rot. Bonds5

About 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide

3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 46942753) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
PubChem CID46942753
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1
InChIInChI=1S/C23H18ClFN4O2/c1-28(2)23(31)16-5-3-4-14(8-16)17-10-20(27-13-30)22-26-11-21(29(22)12-17)15-6-7-19(25)18(24)9-15/h3-13H,1-2H3,(H,27,30)
InChIKeyXYFNKTTZGCPSJD-UHFFFAOYSA-N
XLogP4.73
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
N-cyclopropyl-4-{8-[(2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
CID 67974488
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
6-chloro-N-[[4-(4-chlorophenyl)phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 53469216
7-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469219
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
4-[6-benzyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57382738
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67402849

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide (CID 46942753) is 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1.
What is the InChIKey of 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is XYFNKTTZGCPSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c1-28(2)23(31)16-5-3-4-14(8-16)17-10-20(27-13-30)22-26-11-21(29(22)12-17)15-6-7-19(25)18(24)9-15/h3-13H,1-2H3,(H,27,30).
What are the key properties of 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide?
3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 436.87 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-fluorophenyl)-8-formamidoimidazo[1,2-a]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46942753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).