N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

C22H19N3O3 — CID 96579471

IUPACN-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(O)cc1)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C22H19N3O3/c26-18-9-6-16(7-10-18)20(27)12-23-22(28)17-8-11-21-24-19(14-25(21)13-17)15-4-2-1-3-5-15/h1-11,13-14,20,26-27H,12H2,(H,23,28)/t20-/m1/s1
InChIKeyZVWYZASXMYPTME-HXUWFJFHSA-N
MW373.41 g/mol
LogP3.17
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 96579471) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID96579471
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(O)cc1)c1ccc2nc(-c3ccccc3)cn2c1
InChIInChI=1S/C22H19N3O3/c26-18-9-6-16(7-10-18)20(27)12-23-22(28)17-8-11-21-24-19(14-25(21)13-17)15-4-2-1-3-5-15/h1-11,13-14,20,26-27H,12H2,(H,23,28)/t20-/m1/s1
InChIKeyZVWYZASXMYPTME-HXUWFJFHSA-N
XLogP3.17
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72935701
2-phenyl-N-(2-pyrazolidin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134080839
N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96571883
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70786143
2-phenyl-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97207911
N-benzyl-N-(2-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70706926
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97192179
2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97198705
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
2-phenyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97196202

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (CID 96579471) is N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is O=C(NC[C@@H](O)c1ccc(O)cc1)c1ccc2nc(-c3ccccc3)cn2c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZVWYZASXMYPTME-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-18-9-6-16(7-10-18)20(27)12-23-22(28)17-8-11-21-24-19(14-25(21)13-17)15-4-2-1-3-5-15/h1-11,13-14,20,26-27H,12H2,(H,23,28)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 96579471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).