5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole

C19H16FN5O — CID 154797294

IUPAC5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCCc1nc2nccc(-c3nc(C4(c5cccc(F)c5)CC4)no3)c2[nH]1
InChIInChI=1S/C19H16FN5O/c1-2-14-22-15-13(6-9-21-16(15)23-14)17-24-18(25-26-17)19(7-8-19)11-4-3-5-12(20)10-11/h3-6,9-10H,2,7-8H2,1H3,(H,21,22,23)
InChIKeyZRHUWNXHSJMOAT-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.79
Rot. Bonds4

About 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole

5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 154797294) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID154797294
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCCc1nc2nccc(-c3nc(C4(c5cccc(F)c5)CC4)no3)c2[nH]1
InChIInChI=1S/C19H16FN5O/c1-2-14-22-15-13(6-9-21-16(15)23-14)17-24-18(25-26-17)19(7-8-19)11-4-3-5-12(20)10-11/h3-6,9-10H,2,7-8H2,1H3,(H,21,22,23)
InChIKeyZRHUWNXHSJMOAT-UHFFFAOYSA-N
XLogP3.79
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole
CID 136570270
2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine
CID 66890985
5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole
CID 166210810
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789957
2-methyl-3-[3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-one
CID 166307750
3-[4-(3-fluorophenyl)oxan-4-yl]-5-[2-(tetrazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 167821858
N,N-dimethyl-5-[3-[1-(3-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 138005492
4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
CID 114873166
1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
CID 169262806
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
N-[3,5-dichloro-4-[1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]formamide
CID 134180225
2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938333

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole (CID 154797294) is 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole is CCc1nc2nccc(-c3nc(C4(c5cccc(F)c5)CC4)no3)c2[nH]1.
What is the InChIKey of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is ZRHUWNXHSJMOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-2-14-22-15-13(6-9-21-16(15)23-14)17-24-18(25-26-17)19(7-8-19)11-4-3-5-12(20)10-11/h3-6,9-10H,2,7-8H2,1H3,(H,21,22,23).
What are the key properties of 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole?
5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 349.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-3-[1-(3-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154797294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).