3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one

C19H21FN6O2 — CID 1444440

IUPAC3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H21FN6O2/c1-2-14-5-3-4-10-24(14)17(27)12-25-19(28)16-11-21-26(18(16)22-23-25)15-8-6-13(20)7-9-15/h6-9,11,14H,2-5,10,12H2,1H3/t14-/m0/s1
InChIKeyJEBMDQRMOWPPRG-AWEZNQCLSA-N
MW384.42 g/mol
LogP1.91
Rot. Bonds4

About 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one

3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one (PubChem CID 1444440) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one
PubChem CID1444440
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H21FN6O2/c1-2-14-5-3-4-10-24(14)17(27)12-25-19(28)16-11-21-26(18(16)22-23-25)15-8-6-13(20)7-9-15/h6-9,11,14H,2-5,10,12H2,1H3/t14-/m0/s1
InChIKeyJEBMDQRMOWPPRG-AWEZNQCLSA-N
XLogP1.91
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444505
cyclohexyl 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetate
CID 651351
7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444323
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015598
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
CID 6487824
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 41434836
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
CID 113195404
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 94182934
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone
CID 7296351
5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78622929

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one (CID 1444440) is 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one is CC[C@H]1CCCCN1C(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one?
The InChIKey is JEBMDQRMOWPPRG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-2-14-5-3-4-10-24(14)17(27)12-25-19(28)16-11-21-26(18(16)22-23-25)15-8-6-13(20)7-9-15/h6-9,11,14H,2-5,10,12H2,1H3/t14-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one?
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one has a molecular weight of 384.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 1444440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).