6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C18H18ClFN4O — CID 42690109

IUPAC6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cn2cc(-c3ccc(F)c(Cl)c3)ccc2n1
InChIInChI=1S/C18H18ClFN4O/c1-23(2)8-7-21-18(25)16-11-24-10-13(4-6-17(24)22-16)12-3-5-15(20)14(19)9-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)
InChIKeyAMGHPFRDMUBDSX-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.09
Rot. Bonds5

About 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42690109) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42690109
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cn2cc(-c3ccc(F)c(Cl)c3)ccc2n1
InChIInChI=1S/C18H18ClFN4O/c1-23(2)8-7-21-18(25)16-11-24-10-13(4-6-17(24)22-16)12-3-5-15(20)14(19)9-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)
InChIKeyAMGHPFRDMUBDSX-UHFFFAOYSA-N
XLogP3.09
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 42690109) is 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cn2cc(-c3ccc(F)c(Cl)c3)ccc2n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AMGHPFRDMUBDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-23(2)8-7-21-18(25)16-11-24-10-13(4-6-17(24)22-16)12-3-5-15(20)14(19)9-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,25).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42690109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).