N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C15H11ClFN3O — CID 53167047

IUPACN-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cn2ccccc2n1
InChIInChI=1S/C15H11ClFN3O/c16-11-7-10(4-5-12(11)17)8-18-15(21)13-9-20-6-2-1-3-14(20)19-13/h1-7,9H,8H2,(H,18,21)
InChIKeyKJCPNNKNYMSZFY-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.06
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 53167047) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID53167047
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cn2ccccc2n1
InChIInChI=1S/C15H11ClFN3O/c16-11-7-10(4-5-12(11)17)8-18-15(21)13-9-20-6-2-1-3-14(20)19-13/h1-7,9H,8H2,(H,18,21)
InChIKeyKJCPNNKNYMSZFY-UHFFFAOYSA-N
XLogP3.06
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 63311234
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 100689823
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051276
N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051090
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[(2,4,6-trimethylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051271
ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 153344844
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 53167047) is N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1cn2ccccc2n1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KJCPNNKNYMSZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-11-7-10(4-5-12(11)17)8-18-15(21)13-9-20-6-2-1-3-14(20)19-13/h1-7,9H,8H2,(H,18,21).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 53167047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).