5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C19H22FN5O — CID 133422121

IUPAC5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(OCc3ccc(F)cc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H22FN5O/c1-2-16-11-18(25-19(23-16)21-13-22-25)24-9-7-17(8-10-24)26-12-14-3-5-15(20)6-4-14/h3-6,11,13,17H,2,7-10,12H2,1H3
InChIKeyFVCGJDCIAFJVAG-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.01
Rot. Bonds5

About 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133422121) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133422121
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(OCc3ccc(F)cc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H22FN5O/c1-2-16-11-18(25-19(23-16)21-13-22-25)24-9-7-17(8-10-24)26-12-14-3-5-15(20)6-4-14/h3-6,11,13,17H,2,7-10,12H2,1H3
InChIKeyFVCGJDCIAFJVAG-UHFFFAOYSA-N
XLogP3.01
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
5-ethyl-7-[4-(2-iodophenoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133337359
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 133284910
7-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46096770
3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
CID 133422180
7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133316057
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
CID 82692163
5-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridin-2-amine
CID 133304100
4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
CID 133422188
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
CID 133330365

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133422121) is 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CCC(OCc3ccc(F)cc3)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FVCGJDCIAFJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-2-16-11-18(25-19(23-16)21-13-22-25)24-9-7-17(8-10-24)26-12-14-3-5-15(20)6-4-14/h3-6,11,13,17H,2,7-10,12H2,1H3.
What are the key properties of 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 355.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133422121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).