1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine

C24H24FN5O — CID 67523457

IUPAC1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)CC1
InChIInChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)24(20-16-27-28-23(20)22-3-2-14-31-22)21-9-6-18(15-26-21)17-4-7-19(25)8-5-17/h2-9,14-16,24H,10-13H2,1H3,(H,27,28)
InChIKeyLMQFUXLRHWRKLB-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.21
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine

1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 67523457) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
PubChem CID67523457
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)CC1
InChIInChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)24(20-16-27-28-23(20)22-3-2-14-31-22)21-9-6-18(15-26-21)17-4-7-19(25)8-5-17/h2-9,14-16,24H,10-13H2,1H3,(H,27,28)
InChIKeyLMQFUXLRHWRKLB-UHFFFAOYSA-N
XLogP4.21
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine (CID 67523457) is 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine is CN1CCN(C(c2ccc(-c3ccc(F)cc3)cn2)c2cn[nH]c2-c2ccco2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is LMQFUXLRHWRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)24(20-16-27-28-23(20)22-3-2-14-31-22)21-9-6-18(15-26-21)17-4-7-19(25)8-5-17/h2-9,14-16,24H,10-13H2,1H3,(H,27,28).
What are the key properties of 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 417.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-2-pyridinyl]-[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 67523457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).