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

C22H19N5O3 — CID 71280242

IUPACN-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CCC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C22H19N5O3/c1-13-5-6-14(20-25-22(30-26-20)15-7-8-16(28)10-15)11-17(13)24-21(29)18-12-23-19-4-2-3-9-27(18)19/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,24,29)
InChIKeyCMKHFELGXWLQSX-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.78
Rot. Bonds4

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

N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280242) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280242
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CCC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C22H19N5O3/c1-13-5-6-14(20-25-22(30-26-20)15-7-8-16(28)10-15)11-17(13)24-21(29)18-12-23-19-4-2-3-9-27(18)19/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,24,29)
InChIKeyCMKHFELGXWLQSX-UHFFFAOYSA-N
XLogP3.78
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280242) is N-[2-methyl-5-[5-(3-oxocyclopentyl)-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-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CCC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CMKHFELGXWLQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-5-6-14(20-25-22(30-26-20)15-7-8-16(28)10-15)11-17(13)24-21(29)18-12-23-19-4-2-3-9-27(18)19/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,24,29).
What are the key properties of N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[5-(3-oxocyclopentyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).