6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C20H24FN5O2 — CID 142496529

IUPAC6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCC(OC(C)c4cccc(F)c4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C20H24FN5O2/c1-12-18(19(27)26-20(22-12)23-14(3)24-26)25-9-7-17(8-10-25)28-13(2)15-5-4-6-16(21)11-15/h4-6,11,13,17H,7-10H2,1-3H3,(H,22,23,24)
InChIKeyWSSAKVSKFTWSEA-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.92
Rot. Bonds4

About 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 142496529) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID142496529
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(N3CCC(OC(C)c4cccc(F)c4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C20H24FN5O2/c1-12-18(19(27)26-20(22-12)23-14(3)24-26)25-9-7-17(8-10-25)28-13(2)15-5-4-6-16(21)11-15/h4-6,11,13,17H,7-10H2,1-3H3,(H,22,23,24)
InChIKeyWSSAKVSKFTWSEA-UHFFFAOYSA-N
XLogP2.92
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
2-[(3-fluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1,3-benzothiazole
CID 56949197
methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
CID 170961786
5-[[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 95888860
3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138280
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
6-[1-(3-fluorophenyl)ethoxy]-1H-indole
CID 175599029
4-(3-fluorophenyl)-1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]pentan-3-one
CID 58369296
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
CID 64931500
4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine
CID 25263320
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 142496529) is 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(N3CCC(OC(C)c4cccc(F)c4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WSSAKVSKFTWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-12-18(19(27)26-20(22-12)23-14(3)24-26)25-9-7-17(8-10-25)28-13(2)15-5-4-6-16(21)11-15/h4-6,11,13,17H,7-10H2,1-3H3,(H,22,23,24).
What are the key properties of 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 385.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(3-fluorophenyl)ethoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 142496529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).