N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18N6O2 — CID 71281639

IUPACN-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nc(Nc3ccccc3)no2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C23H18N6O2/c1-15-10-11-16(22-27-23(28-31-22)25-17-7-3-2-4-8-17)13-18(15)26-21(30)19-14-24-20-9-5-6-12-29(19)20/h2-14H,1H3,(H,25,28)(H,26,30)
InChIKeyHLAMWEGVOBZKLL-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.69
Rot. Bonds5

About N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71281639) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71281639
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nc(Nc3ccccc3)no2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C23H18N6O2/c1-15-10-11-16(22-27-23(28-31-22)25-17-7-3-2-4-8-17)13-18(15)26-21(30)19-14-24-20-9-5-6-12-29(19)20/h2-14H,1H3,(H,25,28)(H,26,30)
InChIKeyHLAMWEGVOBZKLL-UHFFFAOYSA-N
XLogP4.69
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71281639) is N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2nc(Nc3ccccc3)no2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HLAMWEGVOBZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-15-10-11-16(22-27-23(28-31-22)25-17-7-3-2-4-8-17)13-18(15)26-21(30)19-14-24-20-9-5-6-12-29(19)20/h2-14H,1H3,(H,25,28)(H,26,30).
What are the key properties of N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-anilino-1,2,4-oxadiazol-5-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71281639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).