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

C23H23N5O2 — CID 71280288

IUPACN-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C23H23N5O2/c1-3-15-10-17(11-15)23-26-21(27-30-23)16-8-7-14(2)18(12-16)25-22(29)19-13-24-20-6-4-5-9-28(19)20/h4-9,12-13,15,17H,3,10-11H2,1-2H3,(H,25,29)
InChIKeyYGXKCHDRBDRTQD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.85
Rot. Bonds5

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

N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280288) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280288
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1
InChIInChI=1S/C23H23N5O2/c1-3-15-10-17(11-15)23-26-21(27-30-23)16-8-7-14(2)18(12-16)25-22(29)19-13-24-20-6-4-5-9-28(19)20/h4-9,12-13,15,17H,3,10-11H2,1-2H3,(H,25,29)
InChIKeyYGXKCHDRBDRTQD-UHFFFAOYSA-N
XLogP4.85
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280288) is N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCC1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1.
What is the InChIKey of N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YGXKCHDRBDRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-15-10-17(11-15)23-26-21(27-30-23)16-8-7-14(2)18(12-16)25-22(29)19-13-24-20-6-4-5-9-28(19)20/h4-9,12-13,15,17H,3,10-11H2,1-2H3,(H,25,29).
What are the key properties of N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3-ethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).