6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H18FN5O3 — CID 71282248

IUPAC6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=O)CCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(F)cn34)c2)no1
InChIInChI=1S/C21H18FN5O3/c1-12-3-5-14(20-25-19(30-26-20)8-4-13(2)28)9-16(12)24-21(29)17-10-23-18-7-6-15(22)11-27(17)18/h3,5-7,9-11H,4,8H2,1-2H3,(H,24,29)
InChIKeyQRKLHZYNQQKNER-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.61
Rot. Bonds6

About 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282248) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282248
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=O)CCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(F)cn34)c2)no1
InChIInChI=1S/C21H18FN5O3/c1-12-3-5-14(20-25-19(30-26-20)8-4-13(2)28)9-16(12)24-21(29)17-10-23-18-7-6-15(22)11-27(17)18/h3,5-7,9-11H,4,8H2,1-2H3,(H,24,29)
InChIKeyQRKLHZYNQQKNER-UHFFFAOYSA-N
XLogP3.61
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
7-methyl-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71286120
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
CID 123542175
N-[5-[5-[3-(diethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282350
N-[5-[5-[(3E)-3-(aminohydrazinylidene)butyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545360
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 171796819
[3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid
CID 71291749
N-[5-[5-[2-(1-hydroxycyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280638
ethane;N-[5-[5-[2-(1-hydroxycyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545115
N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282248) is 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(=O)CCc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(F)cn34)c2)no1.
What is the InChIKey of 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QRKLHZYNQQKNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-12-3-5-14(20-25-19(30-26-20)8-4-13(2)28)9-16(12)24-21(29)17-10-23-18-7-6-15(22)11-27(17)18/h3,5-7,9-11H,4,8H2,1-2H3,(H,24,29).
What are the key properties of 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).