[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C18H20FN5O2 — CID 91841440

IUPAC[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1nnc(-c3cccc(F)c3)o1)C2
InChIInChI=1S/C18H20FN5O2/c1-2-24-16-6-7-23(9-14(16)15(11-25)22-24)10-17-20-21-18(26-17)12-4-3-5-13(19)8-12/h3-5,8,25H,2,6-7,9-11H2,1H3
InChIKeyLSSFIXAAKWBFSG-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.14
Rot. Bonds5

About [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 91841440) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID91841440
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCCn1nc(CO)c2c1CCN(Cc1nnc(-c3cccc(F)c3)o1)C2
InChIInChI=1S/C18H20FN5O2/c1-2-24-16-6-7-23(9-14(16)15(11-25)22-24)10-17-20-21-18(26-17)12-4-3-5-13(19)8-12/h3-5,8,25H,2,6-7,9-11H2,1H3
InChIKeyLSSFIXAAKWBFSG-UHFFFAOYSA-N
XLogP2.14
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 91841440) is [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is CCn1nc(CO)c2c1CCN(Cc1nnc(-c3cccc(F)c3)o1)C2.
What is the InChIKey of [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is LSSFIXAAKWBFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-2-24-16-6-7-23(9-14(16)15(11-25)22-24)10-17-20-21-18(26-17)12-4-3-5-13(19)8-12/h3-5,8,25H,2,6-7,9-11H2,1H3.
What are the key properties of [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 357.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 91841440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).