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

C13H13F2N7O2 — CID 169164278

IUPAC[5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1nnc(C2C=CN(C(F)F)N2)o1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H13F2N7O2/c14-13(15)22-4-2-8(20-22)10-18-19-11(24-10)12(23)21-3-1-7-9(5-21)17-6-16-7/h2,4,6,8,13,20H,1,3,5H2,(H,16,17)
InChIKeyIKBFCWCBCNSPFE-UHFFFAOYSA-N
MW337.29 g/mol
LogP0.59
Rot. Bonds3

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

[5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169164278) has the molecular formula C13H13F2N7O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169164278
Molecular FormulaC13H13F2N7O2
Molecular Weight337.29 g/mol
Exact Mass337.11
IUPAC Name[5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1nnc(C2C=CN(C(F)F)N2)o1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H13F2N7O2/c14-13(15)22-4-2-8(20-22)10-18-19-11(24-10)12(23)21-3-1-7-9(5-21)17-6-16-7/h2,4,6,8,13,20H,1,3,5H2,(H,16,17)
InChIKeyIKBFCWCBCNSPFE-UHFFFAOYSA-N
XLogP0.59
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169164278) is [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-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-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1nnc(C2C=CN(C(F)F)N2)o1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is IKBFCWCBCNSPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N7O2/c14-13(15)22-4-2-8(20-22)10-18-19-11(24-10)12(23)21-3-1-7-9(5-21)17-6-16-7/h2,4,6,8,13,20H,1,3,5H2,(H,16,17).
What are the key properties of [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 337.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(difluoromethyl)-1,5-dihydropyrazol-5-yl]-1,3,4-oxadiazol-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169164278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).