[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone

C24H22FN5O2 — CID 42880998

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone
SMILESCc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)nc2-c2ccco2)c1
InChIInChI=1S/C24H22FN5O2/c1-17-6-4-7-18(16-17)30-23(21-10-5-15-32-21)26-22(27-30)24(31)29-13-11-28(12-14-29)20-9-3-2-8-19(20)25/h2-10,15-16H,11-14H2,1H3
InChIKeyRJYXDOLRXTUGAZ-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.94
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone (PubChem CID 42880998) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone
PubChem CID42880998
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone
SMILESCc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)nc2-c2ccco2)c1
InChIInChI=1S/C24H22FN5O2/c1-17-6-4-7-18(16-17)30-23(21-10-5-15-32-21)26-22(27-30)24(31)29-13-11-28(12-14-29)20-9-3-2-8-19(20)25/h2-10,15-16H,11-14H2,1H3
InChIKeyRJYXDOLRXTUGAZ-UHFFFAOYSA-N
XLogP3.94
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880997
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-1-(4-methylphenyl)-1,2,4-triazol-3-yl]methanone
CID 42692980
5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42693035
[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 42880923
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016639
[4-(2-fluorophenyl)piperazin-1-yl]-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]methanone
CID 1199176
(4-benzhydrylpiperazin-1-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 1053847
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 8581514

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone (CID 42880998) is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone is Cc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)nc2-c2ccco2)c1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone?
The InChIKey is RJYXDOLRXTUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-17-6-4-7-18(16-17)30-23(21-10-5-15-32-21)26-22(27-30)24(31)29-13-11-28(12-14-29)20-9-3-2-8-19(20)25/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone has a molecular weight of 431.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 42880998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).