N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H20FN5O2 — CID 71280267

IUPACN-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)Nc3cc(-c4noc(C5CC(F)C5)n4)ccc3C)cnc2c1
InChIInChI=1S/C22H20FN5O2/c1-12-5-6-28-18(11-24-19(28)7-12)21(29)25-17-10-14(4-3-13(17)2)20-26-22(30-27-20)15-8-16(23)9-15/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,25,29)
InChIKeyMADGFKMGRAUDJD-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.47
Rot. Bonds4

About N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280267) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280267
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)Nc3cc(-c4noc(C5CC(F)C5)n4)ccc3C)cnc2c1
InChIInChI=1S/C22H20FN5O2/c1-12-5-6-28-18(11-24-19(28)7-12)21(29)25-17-10-14(4-3-13(17)2)20-26-22(30-27-20)15-8-16(23)9-15/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,25,29)
InChIKeyMADGFKMGRAUDJD-UHFFFAOYSA-N
XLogP4.47
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.47
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-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 71280267) is N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)Nc3cc(-c4noc(C5CC(F)C5)n4)ccc3C)cnc2c1.
What is the InChIKey of N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MADGFKMGRAUDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-12-5-6-28-18(11-24-19(28)7-12)21(29)25-17-10-14(4-3-13(17)2)20-26-22(30-27-20)15-8-16(23)9-15/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,25,29).
What are the key properties of N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.47, 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-fluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).