[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

C23H19F4N7O2 — CID 121073253

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C23H19F4N7O2/c1-32-18(12-17(30-32)14-2-5-16(24)6-3-14)21(35)34-10-8-33(9-11-34)19-7-4-15(13-28-19)20-29-22(36-31-20)23(25,26)27/h2-7,12-13H,8-11H2,1H3
InChIKeyBAXOTAPDAKDCRC-UHFFFAOYSA-N
MW501.44 g/mol
LogP3.65
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 121073253) has the molecular formula C23H19F4N7O2 and a molecular weight of 501.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID121073253
Molecular FormulaC23H19F4N7O2
Molecular Weight501.44 g/mol
Exact Mass501.15
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C23H19F4N7O2/c1-32-18(12-17(30-32)14-2-5-16(24)6-3-14)21(35)34-10-8-33(9-11-34)19-7-4-15(13-28-19)20-29-22(36-31-20)23(25,26)27/h2-7,12-13H,8-11H2,1H3
InChIKeyBAXOTAPDAKDCRC-UHFFFAOYSA-N
XLogP3.65
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-[4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]phenyl]acetamide
CID 90491564
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491560
(3,4,5-triethoxyphenyl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 121073182
3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 71780513
cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
N,N-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]benzenesulfonamide
CID 121073189
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121073200
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341598
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122339011
[3,5-bis(trifluoromethyl)phenyl]-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 121073138
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 90491474

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (CID 121073253) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is BAXOTAPDAKDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N7O2/c1-32-18(12-17(30-32)14-2-5-16(24)6-3-14)21(35)34-10-8-33(9-11-34)19-7-4-15(13-28-19)20-29-22(36-31-20)23(25,26)27/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 501.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 121073253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).