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

C21H17N7O2 — CID 123942811

IUPACN-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CNC3)n2)cc1NC(=O)c1cnc2cc(C#N)ccn12
InChIInChI=1S/C21H17N7O2/c1-12-2-3-14(19-26-21(30-27-19)15-9-23-10-15)7-16(12)25-20(29)17-11-24-18-6-13(8-22)4-5-28(17)18/h2-7,11,15,23H,9-10H2,1H3,(H,25,29)
InChIKeyAZKXVQXNZDMZTO-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.50
Rot. Bonds4

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

N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123942811) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123942811
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CNC3)n2)cc1NC(=O)c1cnc2cc(C#N)ccn12
InChIInChI=1S/C21H17N7O2/c1-12-2-3-14(19-26-21(30-27-19)15-9-23-10-15)7-16(12)25-20(29)17-11-24-18-6-13(8-22)4-5-28(17)18/h2-7,11,15,23H,9-10H2,1H3,(H,25,29)
InChIKeyAZKXVQXNZDMZTO-UHFFFAOYSA-N
XLogP2.50
TPSA121.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane
CID 169268620
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796825
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
7-(3-hydroxy-3-methylbutyl)-N-[2-methyl-5-[5-(1-methylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515231
methyl 3-[3-[4-methyl-3-[[7-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 71280918
N-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
N-[2-methyl-5-[5-[(2R)-4-oxopyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796718
N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 171796858

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide (CID 123942811) is N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CNC3)n2)cc1NC(=O)c1cnc2cc(C#N)ccn12.
What is the InChIKey of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AZKXVQXNZDMZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-12-2-3-14(19-26-21(30-27-19)15-9-23-10-15)7-16(12)25-20(29)17-11-24-18-6-13(8-22)4-5-28(17)18/h2-7,11,15,23H,9-10H2,1H3,(H,25,29).
What are the key properties of N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123942811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).