N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18ClFN4O3 — CID 78048635

IUPACN-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C23H18ClFN4O3/c24-16-7-4-14(5-8-16)20(30)13-27-22(31)15-6-9-17(25)18(11-15)28-23(32)19-12-26-21-3-1-2-10-29(19)21/h1-12,20,30H,13H2,(H,27,31)(H,28,32)
InChIKeyRWFPODGTPKNUOR-UHFFFAOYSA-N
MW452.87 g/mol
LogP3.84
Rot. Bonds6

About N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78048635) has the molecular formula C23H18ClFN4O3 and a molecular weight of 452.87 g/mol. Its IUPAC name is N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID78048635
Molecular FormulaC23H18ClFN4O3
Molecular Weight452.87 g/mol
Exact Mass452.11
IUPAC NameN-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C23H18ClFN4O3/c24-16-7-4-14(5-8-16)20(30)13-27-22(31)15-6-9-17(25)18(11-15)28-23(32)19-12-26-21-3-1-2-10-29(19)21/h1-12,20,30H,13H2,(H,27,31)(H,28,32)
InChIKeyRWFPODGTPKNUOR-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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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
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N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048591
N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
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N-[2-fluoro-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283125
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CID 123779171
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
7-bromo-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178093219
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[5-[(1S)-1-[[5-[(dimethylamino)methyl]-2-fluorophenyl]carbamoylamino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764686
7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 78048635) is N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RWFPODGTPKNUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3/c24-16-7-4-14(5-8-16)20(30)13-27-22(31)15-6-9-17(25)18(11-15)28-23(32)19-12-26-21-3-1-2-10-29(19)21/h1-12,20,30H,13H2,(H,27,31)(H,28,32).
What are the key properties of N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[[2-(4-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-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78048635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).