7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide

C22H14BrF3N4O2 — CID 172721886

IUPAC7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(F)c(NC(=O)c2cn3ccc(Br)cc3n2)c1
InChIInChI=1S/C22H14BrF3N4O2/c23-14-5-6-30-11-19(28-20(30)9-14)22(32)29-18-8-13(2-4-16(18)25)21(31)27-10-12-1-3-15(24)17(26)7-12/h1-9,11H,10H2,(H,27,31)(H,29,32)
InChIKeyGPWILUAJRCZMIJ-UHFFFAOYSA-N
MW503.28 g/mol
LogP4.70
Rot. Bonds5

About 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide

7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 172721886) has the molecular formula C22H14BrF3N4O2 and a molecular weight of 503.28 g/mol. Its IUPAC name is 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID172721886
Molecular FormulaC22H14BrF3N4O2
Molecular Weight503.28 g/mol
Exact Mass502.03
IUPAC Name7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(F)c(NC(=O)c2cn3ccc(Br)cc3n2)c1
InChIInChI=1S/C22H14BrF3N4O2/c23-14-5-6-30-11-19(28-20(30)9-14)22(32)29-18-8-13(2-4-16(18)25)21(31)27-10-12-1-3-15(24)17(26)7-12/h1-9,11H,10H2,(H,27,31)(H,29,32)
InChIKeyGPWILUAJRCZMIJ-UHFFFAOYSA-N
XLogP4.70
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.28
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
N-[(4-carbamoylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801462
7-bromo-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 166193082
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
methyl 4-[3-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]-2-fluorobenzoate
CID 71283111
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283095
5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 90695501
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
4-[[[2-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]methyl]benzoic acid
CID 178019129
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 172721886) is 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccc(F)c(NC(=O)c2cn3ccc(Br)cc3n2)c1.
What is the InChIKey of 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GPWILUAJRCZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrF3N4O2/c23-14-5-6-30-11-19(28-20(30)9-14)22(32)29-18-8-13(2-4-16(18)25)21(31)27-10-12-1-3-15(24)17(26)7-12/h1-9,11H,10H2,(H,27,31)(H,29,32).
What are the key properties of 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide?
7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 503.28 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 172721886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).