N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H25N7O2 — CID 71291286

IUPACN-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3cccc(N4CCNCC4)c3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C27H25N7O2/c1-18-8-9-19(16-22(18)30-26(35)23-17-29-24-7-2-3-12-34(23)24)25-31-27(36-32-25)20-5-4-6-21(15-20)33-13-10-28-11-14-33/h2-9,12,15-17,28H,10-11,13-14H2,1H3,(H,30,35)
InChIKeyIBBKWDFALDHMHR-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.02
Rot. Bonds5

About N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71291286) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71291286
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(-c3cccc(N4CCNCC4)c3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C27H25N7O2/c1-18-8-9-19(16-22(18)30-26(35)23-17-29-24-7-2-3-12-34(23)24)25-31-27(36-32-25)20-5-4-6-21(15-20)33-13-10-28-11-14-33/h2-9,12,15-17,28H,10-11,13-14H2,1H3,(H,30,35)
InChIKeyIBBKWDFALDHMHR-UHFFFAOYSA-N
XLogP4.02
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71291286) is N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(-c3cccc(N4CCNCC4)c3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IBBKWDFALDHMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-18-8-9-19(16-22(18)30-26(35)23-17-29-24-7-2-3-12-34(23)24)25-31-27(36-32-25)20-5-4-6-21(15-20)33-13-10-28-11-14-33/h2-9,12,15-17,28H,10-11,13-14H2,1H3,(H,30,35).
What are the key properties of N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71291286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).