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

C21H18ClFN6O2 — CID 169268477

IUPAC6-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
SMILESCc1c(F)cc(-c2noc(C3CN(C)C3)n2)cc1NC(=O)c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H18ClFN6O2/c1-11-15(23)5-12(19-26-21(31-27-19)13-8-28(2)9-13)6-16(11)25-20(30)17-7-24-18-4-3-14(22)10-29(17)18/h3-7,10,13H,8-9H2,1-2H3,(H,25,30)
InChIKeyXDQKXXJVHRPNPG-UHFFFAOYSA-N
MW440.87 g/mol
LogP3.77
Rot. Bonds4

About 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

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 (PubChem CID 169268477) has the molecular formula C21H18ClFN6O2 and a molecular weight of 440.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID169268477
Molecular FormulaC21H18ClFN6O2
Molecular Weight440.87 g/mol
Exact Mass440.12
IUPAC Name6-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
SMILESCc1c(F)cc(-c2noc(C3CN(C)C3)n2)cc1NC(=O)c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H18ClFN6O2/c1-11-15(23)5-12(19-26-21(31-27-19)13-8-28(2)9-13)6-16(11)25-20(30)17-7-24-18-4-3-14(22)10-29(17)18/h3-7,10,13H,8-9H2,1-2H3,(H,25,30)
InChIKeyXDQKXXJVHRPNPG-UHFFFAOYSA-N
XLogP3.77
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268599
methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 169268502
methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 175946406
N-[3-fluoro-5-[5-[(1R,2R)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 169268508
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
methyl 3-[3-[3-[(6-hydroxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 171796550
3-[3-[3-[(6-acetylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid
CID 71292555
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
N-[2-fluoro-5-[5-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71281463
methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 86677462
N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515192
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(F)cc(-c2noc(C3CN(C)C3)n2)cc1NC(=O)c1cnc2ccc(Cl)cn12.
What is the InChIKey of 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?
The InChIKey is XDQKXXJVHRPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O2/c1-11-15(23)5-12(19-26-21(31-27-19)13-8-28(2)9-13)6-16(11)25-20(30)17-7-24-18-4-3-14(22)10-29(17)18/h3-7,10,13H,8-9H2,1-2H3,(H,25,30).
What are the key properties of 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?
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 has a molecular weight of 440.87 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169268477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).