2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole

C21H16F2N6O — CID 163514023

IUPAC2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(F)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2F)o1
InChIInChI=1S/C21H16F2N6O/c1-3-19-26-27-21(30-19)20-15(22)6-13(7-16(20)23)17-10-24-18-8-12(4-5-29(17)18)14-9-25-28(2)11-14/h4-11H,3H2,1-2H3
InChIKeyDFDVQDRZMMDQSA-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.29
Rot. Bonds4

About 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole

2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 163514023) has the molecular formula C21H16F2N6O and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID163514023
Molecular FormulaC21H16F2N6O
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(F)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2F)o1
InChIInChI=1S/C21H16F2N6O/c1-3-19-26-27-21(30-19)20-15(22)6-13(7-16(20)23)17-10-24-18-8-12(4-5-29(17)18)14-9-25-28(2)11-14/h4-11H,3H2,1-2H3
InChIKeyDFDVQDRZMMDQSA-UHFFFAOYSA-N
XLogP4.29
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2,6-Dimethoxy-4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)phenyl)-5-ethyl-1,3,4-oxadiazole
CID 164039567
5-[4-(1,5-dimethylpyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 156596357
4-[4-[5-[Imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile
CID 156596358
N-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 156596359
N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 2998168
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
Ethyl 3-(3-(4-(1,3,4-oxadiazol-2-yl)phenyl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 45486208
N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546233
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164608966

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole (CID 163514023) is 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(F)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2F)o1.
What is the InChIKey of 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is DFDVQDRZMMDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O/c1-3-19-26-27-21(30-19)20-15(22)6-13(7-16(20)23)17-10-24-18-8-12(4-5-29(17)18)14-9-25-28(2)11-14/h4-11H,3H2,1-2H3.
What are the key properties of 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 406.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 163514023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).