N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18ClFN4O3 — CID 71282941

IUPACN-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1Cl)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C23H18ClFN4O3/c24-16-6-2-1-5-15(16)20(30)13-27-22(31)14-8-9-17(25)18(11-14)28-23(32)19-12-26-21-7-3-4-10-29(19)21/h1-12,20,30H,13H2,(H,27,31)(H,28,32)
InChIKeyDHGXKRHFXDSURA-UHFFFAOYSA-N
MW452.87 g/mol
LogP3.84
Rot. Bonds6

About N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282941) has the molecular formula C23H18ClFN4O3 and a molecular weight of 452.87 g/mol. Its IUPAC name is N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282941
Molecular FormulaC23H18ClFN4O3
Molecular Weight452.87 g/mol
Exact Mass452.11
IUPAC NameN-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1Cl)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C23H18ClFN4O3/c24-16-6-2-1-5-15(16)20(30)13-27-22(31)14-8-9-17(25)18(11-14)28-23(32)19-12-26-21-7-3-4-10-29(19)21/h1-12,20,30H,13H2,(H,27,31)(H,28,32)
InChIKeyDHGXKRHFXDSURA-UHFFFAOYSA-N
XLogP3.84
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282941) is N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCC(O)c1ccccc1Cl)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DHGXKRHFXDSURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3/c24-16-6-2-1-5-15(16)20(30)13-27-22(31)14-8-9-17(25)18(11-14)28-23(32)19-12-26-21-7-3-4-10-29(19)21/h1-12,20,30H,13H2,(H,27,31)(H,28,32).
What are the key properties of N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 452.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).