[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C14H17FN6O2 — CID 169164765

IUPAC[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1nnc(N2CCC(F)CC2)o1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17FN6O2/c15-9-1-4-20(5-2-9)14-19-18-12(23-14)13(22)21-6-3-10-11(7-21)17-8-16-10/h8-9H,1-7H2,(H,16,17)
InChIKeyBCFRTTWYFQODIM-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.93
Rot. Bonds2

About [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169164765) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169164765
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1nnc(N2CCC(F)CC2)o1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H17FN6O2/c15-9-1-4-20(5-2-9)14-19-18-12(23-14)13(22)21-6-3-10-11(7-21)17-8-16-10/h8-9H,1-7H2,(H,16,17)
InChIKeyBCFRTTWYFQODIM-UHFFFAOYSA-N
XLogP0.93
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,3,4-oxadiazol-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166195
[4-(difluoromethyl)-2-(4-fluoropiperidin-1-yl)-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169167114
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169164854
[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169165137
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
2,2,2-trifluoro-1-[4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 110712795
(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166626
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169164728
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169164765) is [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1nnc(N2CCC(F)CC2)o1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is BCFRTTWYFQODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O2/c15-9-1-4-20(5-2-9)14-19-18-12(23-14)13(22)21-6-3-10-11(7-21)17-8-16-10/h8-9H,1-7H2,(H,16,17).
What are the key properties of [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 320.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoropiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169164765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).