3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one

C19H17FN8O2 — CID 142422153

IUPAC3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
SMILESCc1cnn2ncn(Cc3nc(C4C5CN(c6cc(F)ccn6)CC54)no3)c(=O)c12
InChIInChI=1S/C19H17FN8O2/c1-10-5-22-28-17(10)19(29)27(9-23-28)8-15-24-18(25-30-15)16-12-6-26(7-13(12)16)14-4-11(20)2-3-21-14/h2-5,9,12-13,16H,6-8H2,1H3
InChIKeyNPTHNANPKCRKIP-UHFFFAOYSA-N
MW408.40 g/mol
LogP1.01
Rot. Bonds4

About 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one

3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one (PubChem CID 142422153) has the molecular formula C19H17FN8O2 and a molecular weight of 408.40 g/mol. Its IUPAC name is 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
PubChem CID142422153
Molecular FormulaC19H17FN8O2
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Name3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
SMILESCc1cnn2ncn(Cc3nc(C4C5CN(c6cc(F)ccn6)CC54)no3)c(=O)c12
InChIInChI=1S/C19H17FN8O2/c1-10-5-22-28-17(10)19(29)27(9-23-28)8-15-24-18(25-30-15)16-12-6-26(7-13(12)16)14-4-11(20)2-3-21-14/h2-5,9,12-13,16H,6-8H2,1H3
InChIKeyNPTHNANPKCRKIP-UHFFFAOYSA-N
XLogP1.01
TPSA107.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one (CID 142422153) is 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one is Cc1cnn2ncn(Cc3nc(C4C5CN(c6cc(F)ccn6)CC54)no3)c(=O)c12.
What is the InChIKey of 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is NPTHNANPKCRKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O2/c1-10-5-22-28-17(10)19(29)27(9-23-28)8-15-24-18(25-30-15)16-12-6-26(7-13(12)16)14-4-11(20)2-3-21-14/h2-5,9,12-13,16H,6-8H2,1H3.
What are the key properties of 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one?
3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 408.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 142422153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).