6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide

C23H18N6O3 — CID 169085111

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)C(NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)c1ccccc1
InChIInChI=1S/C23H18N6O3/c24-21(30)20(13-4-2-1-3-5-13)28-22(31)17-11-26-19-9-7-15(12-29(17)19)14-6-8-18-16(10-14)27-23(25)32-18/h1-12,20H,(H2,24,30)(H2,25,27)(H,28,31)
InChIKeyGYJNKJXPIZGNEA-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.68
Rot. Bonds5

About 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 169085111) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID169085111
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)C(NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)c1ccccc1
InChIInChI=1S/C23H18N6O3/c24-21(30)20(13-4-2-1-3-5-13)28-22(31)17-11-26-19-9-7-15(12-29(17)19)14-6-8-18-16(10-14)27-23(25)32-18/h1-12,20H,(H2,24,30)(H2,25,27)(H,28,31)
InChIKeyGYJNKJXPIZGNEA-UHFFFAOYSA-N
XLogP2.68
TPSA141.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 169085111) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)C(NC(=O)c1cnc2ccc(-c3ccc4oc(N)nc4c3)cn12)c1ccccc1.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GYJNKJXPIZGNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c24-21(30)20(13-4-2-1-3-5-13)28-22(31)17-11-26-19-9-7-15(12-29(17)19)14-6-8-18-16(10-14)27-23(25)32-18/h1-12,20H,(H2,24,30)(H2,25,27)(H,28,31).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-amino-2-oxo-1-phenylethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 169085111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).