N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide

C20H16ClN5O4 — CID 171796431

IUPACN-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccn2c(C(=O)Nc3cc(-c4noc(C5COC5)n4)ccc3Cl)cnc2c1
InChIInChI=1S/C20H16ClN5O4/c1-28-13-4-5-26-16(8-22-17(26)7-13)19(27)23-15-6-11(2-3-14(15)21)18-24-20(30-25-18)12-9-29-10-12/h2-8,12H,9-10H2,1H3,(H,23,27)
InChIKeyGRSNKOSCAJXJAL-UHFFFAOYSA-N
MW425.83 g/mol
LogP3.41
Rot. Bonds5

About N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide

N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796431) has the molecular formula C20H16ClN5O4 and a molecular weight of 425.83 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171796431
Molecular FormulaC20H16ClN5O4
Molecular Weight425.83 g/mol
Exact Mass425.09
IUPAC NameN-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccn2c(C(=O)Nc3cc(-c4noc(C5COC5)n4)ccc3Cl)cnc2c1
InChIInChI=1S/C20H16ClN5O4/c1-28-13-4-5-26-16(8-22-17(26)7-13)19(27)23-15-6-11(2-3-14(15)21)18-24-20(30-25-18)12-9-29-10-12/h2-8,12H,9-10H2,1H3,(H,23,27)
InChIKeyGRSNKOSCAJXJAL-UHFFFAOYSA-N
XLogP3.41
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
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
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-[2-methyl-5-[5-[(7S)-7-methyl-5,8-dioxaspiro[3.4]octan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280714
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-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788
methyl 3-[3-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]sulfanylpropanoate
CID 139515275
N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796241

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 171796431) is N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide is COc1ccn2c(C(=O)Nc3cc(-c4noc(C5COC5)n4)ccc3Cl)cnc2c1.
What is the InChIKey of N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GRSNKOSCAJXJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4/c1-28-13-4-5-26-16(8-22-17(26)7-13)19(27)23-15-6-11(2-3-14(15)21)18-24-20(30-25-18)12-9-29-10-12/h2-8,12H,9-10H2,1H3,(H,23,27).
What are the key properties of N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 425.83 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(oxetan-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).