3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol

C22H26FN5O — CID 121433118

IUPAC3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol
SMILESCn1nccc1C(c1ccc(F)cn1)N1CCN(CCc2cccc(O)c2)CC1
InChIInChI=1S/C22H26FN5O/c1-26-21(7-9-25-26)22(20-6-5-18(23)16-24-20)28-13-11-27(12-14-28)10-8-17-3-2-4-19(29)15-17/h2-7,9,15-16,22,29H,8,10-14H2,1H3
InChIKeyOLARAXYONANTDO-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.61
Rot. Bonds6

About 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol

3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol (PubChem CID 121433118) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol
PubChem CID121433118
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol
SMILESCn1nccc1C(c1ccc(F)cn1)N1CCN(CCc2cccc(O)c2)CC1
InChIInChI=1S/C22H26FN5O/c1-26-21(7-9-25-26)22(20-6-5-18(23)16-24-20)28-13-11-27(12-14-28)10-8-17-3-2-4-19(29)15-17/h2-7,9,15-16,22,29H,8,10-14H2,1H3
InChIKeyOLARAXYONANTDO-UHFFFAOYSA-N
XLogP2.61
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol 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 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol?
The IUPAC name of 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol (CID 121433118) is 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol.
What is the SMILES notation for 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol?
The canonical SMILES for 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol is Cn1nccc1C(c1ccc(F)cn1)N1CCN(CCc2cccc(O)c2)CC1.
What is the InChIKey of 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol?
The InChIKey is OLARAXYONANTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-26-21(7-9-25-26)22(20-6-5-18(23)16-24-20)28-13-11-27(12-14-28)10-8-17-3-2-4-19(29)15-17/h2-7,9,15-16,22,29H,8,10-14H2,1H3.
What are the key properties of 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol?
3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol has a molecular weight of 395.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]ethyl]phenol is sourced from PubChem (CID 121433118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).