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

C24H19ClFN3O3 — CID 159843660

IUPACN-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CC[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C24H19ClFN3O3/c25-17-7-4-15(5-8-17)21(30)10-11-22(31)16-6-9-18(26)19(13-16)28-24(32)20-14-27-23-3-1-2-12-29(20)23/h1-9,12-14,21,30H,10-11H2,(H,28,32)/t21-/m1/s1
InChIKeyNOZZECSYUVFIQS-OAQYLSRUSA-N
MW451.89 g/mol
LogP5.08
Rot. Bonds7

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

N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 159843660) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID159843660
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC NameN-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CC[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C24H19ClFN3O3/c25-17-7-4-15(5-8-17)21(30)10-11-22(31)16-6-9-18(26)19(13-16)28-24(32)20-14-27-23-3-1-2-12-29(20)23/h1-9,12-14,21,30H,10-11H2,(H,28,32)/t21-/m1/s1
InChIKeyNOZZECSYUVFIQS-OAQYLSRUSA-N
XLogP5.08
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 159843660) is N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(CC[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NOZZECSYUVFIQS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c25-17-7-4-15(5-8-17)21(30)10-11-22(31)16-6-9-18(26)19(13-16)28-24(32)20-14-27-23-3-1-2-12-29(20)23/h1-9,12-14,21,30H,10-11H2,(H,28,32)/t21-/m1/s1.
What are the key properties of N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 451.89 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4R)-4-(4-chlorophenyl)-4-hydroxybutanoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 159843660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).