3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol

C24H26FN5O2 — CID 69228460

IUPAC3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol
SMILESOC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCC(F)CC2)n1
InChIInChI=1S/C24H26FN5O2/c25-19-8-10-29(11-9-19)23-26-22(17-6-3-7-21(32)13-17)27-24(28-23)30-14-18-5-2-1-4-16(18)12-20(30)15-31/h1-7,13,19-20,31-32H,8-12,14-15H2/t20-/m1/s1
InChIKeyAVJMMVKCNNMMDI-HXUWFJFHSA-N
MW435.50 g/mol
LogP3.11
Rot. Bonds4

About 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol

3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol (PubChem CID 69228460) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol
PubChem CID69228460
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol
SMILESOC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCC(F)CC2)n1
InChIInChI=1S/C24H26FN5O2/c25-19-8-10-29(11-9-19)23-26-22(17-6-3-7-21(32)13-17)27-24(28-23)30-14-18-5-2-1-4-16(18)12-20(30)15-31/h1-7,13,19-20,31-32H,8-12,14-15H2/t20-/m1/s1
InChIKeyAVJMMVKCNNMMDI-HXUWFJFHSA-N
XLogP3.11
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]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-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol (CID 69228460) is 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol is OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCC(F)CC2)n1.
What is the InChIKey of 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol?
The InChIKey is AVJMMVKCNNMMDI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-19-8-10-29(11-9-19)23-26-22(17-6-3-7-21(32)13-17)27-24(28-23)30-14-18-5-2-1-4-16(18)12-20(30)15-31/h1-7,13,19-20,31-32H,8-12,14-15H2/t20-/m1/s1.
What are the key properties of 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol?
3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol has a molecular weight of 435.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 69228460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).