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

C26H30N6O3 — CID 139515231

IUPAC7-(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
SMILESCc1ccc(-c2noc(C3CN(C)C3)n2)cc1NC(=O)c1cnc2cc(CCC(C)(C)O)ccn12
InChIInChI=1S/C26H30N6O3/c1-16-5-6-18(23-29-25(35-30-23)19-14-31(4)15-19)12-20(16)28-24(33)21-13-27-22-11-17(8-10-32(21)22)7-9-26(2,3)34/h5-6,8,10-13,19,34H,7,9,14-15H2,1-4H3,(H,28,33)
InChIKeyWBNAUMMGQMVCLL-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.68
Rot. Bonds7

About 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

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 (PubChem CID 139515231) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID139515231
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name7-(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
SMILESCc1ccc(-c2noc(C3CN(C)C3)n2)cc1NC(=O)c1cnc2cc(CCC(C)(C)O)ccn12
InChIInChI=1S/C26H30N6O3/c1-16-5-6-18(23-29-25(35-30-23)19-14-31(4)15-19)12-20(16)28-24(33)21-13-27-22-11-17(8-10-32(21)22)7-9-26(2,3)34/h5-6,8,10-13,19,34H,7,9,14-15H2,1-4H3,(H,28,33)
InChIKeyWBNAUMMGQMVCLL-UHFFFAOYSA-N
XLogP3.68
TPSA108.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051276
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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
CID 123942811
7-(methoxymethyl)-N-[2-methyl-5-[5-[(2S,4S)-4-methylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051710
N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178051594
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
ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545174
N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760
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
4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride
CID 160533005
6-chloro-N-[3-fluoro-2-methyl-5-[5-(1-methylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268477

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2noc(C3CN(C)C3)n2)cc1NC(=O)c1cnc2cc(CCC(C)(C)O)ccn12.
What is the InChIKey of 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?
The InChIKey is WBNAUMMGQMVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-16-5-6-18(23-29-25(35-30-23)19-14-31(4)15-19)12-20(16)28-24(33)21-13-27-22-11-17(8-10-32(21)22)7-9-26(2,3)34/h5-6,8,10-13,19,34H,7,9,14-15H2,1-4H3,(H,28,33).
What are the key properties of 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?
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 has a molecular weight of 474.57 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139515231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).