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

C23H23N5O2 — CID 71280383

IUPACN-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(C)(C)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C23H23N5O2/c1-14-7-8-15(20-26-22(30-27-20)16-11-23(2,3)12-16)10-17(14)25-21(29)18-13-24-19-6-4-5-9-28(18)19/h4-10,13,16H,11-12H2,1-3H3,(H,25,29)
InChIKeyCYRMRQSGQSZIHP-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.85
Rot. Bonds4

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

N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280383) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280383
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(C)(C)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C23H23N5O2/c1-14-7-8-15(20-26-22(30-27-20)16-11-23(2,3)12-16)10-17(14)25-21(29)18-13-24-19-6-4-5-9-28(18)19/h4-10,13,16H,11-12H2,1-3H3,(H,25,29)
InChIKeyCYRMRQSGQSZIHP-UHFFFAOYSA-N
XLogP4.85
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280383) is N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(C)(C)C3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CYRMRQSGQSZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-7-8-15(20-26-22(30-27-20)16-11-23(2,3)12-16)10-17(14)25-21(29)18-13-24-19-6-4-5-9-28(18)19/h4-10,13,16H,11-12H2,1-3H3,(H,25,29).
What are the key properties of N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-dimethylcyclobutyl)-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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-dimethylcyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).