2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol

C22H24FN3O2 — CID 45170420

IUPAC2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CNC2CCCc3c2cnn3-c2ccccc2F)cc1
InChIInChI=1S/C22H24FN3O2/c23-19-4-1-2-6-22(19)26-21-7-3-5-20(18(21)15-25-26)24-14-16-8-10-17(11-9-16)28-13-12-27/h1-2,4,6,8-11,15,20,24,27H,3,5,7,12-14H2
InChIKeyBIAMDNVNEKGNRO-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.55
Rot. Bonds7

About 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol

2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol (PubChem CID 45170420) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
PubChem CID45170420
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CNC2CCCc3c2cnn3-c2ccccc2F)cc1
InChIInChI=1S/C22H24FN3O2/c23-19-4-1-2-6-22(19)26-21-7-3-5-20(18(21)15-25-26)24-14-16-8-10-17(11-9-16)28-13-12-27/h1-2,4,6,8-11,15,20,24,27H,3,5,7,12-14H2
InChIKeyBIAMDNVNEKGNRO-UHFFFAOYSA-N
XLogP3.55
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol 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 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol (CID 45170420) is 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol is OCCOc1ccc(CNC2CCCc3c2cnn3-c2ccccc2F)cc1.
What is the InChIKey of 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol?
The InChIKey is BIAMDNVNEKGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-4-1-2-6-22(19)26-21-7-3-5-20(18(21)15-25-26)24-14-16-8-10-17(11-9-16)28-13-12-27/h1-2,4,6,8-11,15,20,24,27H,3,5,7,12-14H2.
What are the key properties of 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol?
2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol has a molecular weight of 381.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 45170420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).