(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine

C26H23FN4O — CID 71095211

IUPAC(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine
SMILESCNC(C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C26H23FN4O/c1-17(28-2)26(20-13-18-5-3-4-6-24(18)29-15-20)32-23-11-12-25-19(14-23)16-30-31(25)22-9-7-21(27)8-10-22/h3-17,26,28H,1-2H3/t17?,26-/m0/s1
InChIKeyCYRQVBAOFRLZDE-KKFPZRRJSA-N
MW426.50 g/mol
LogP5.44
Rot. Bonds6

About (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine

(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine (PubChem CID 71095211) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine.

Molecular Properties

Compound Name(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine
PubChem CID71095211
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC Name(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine
SMILESCNC(C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C26H23FN4O/c1-17(28-2)26(20-13-18-5-3-4-6-24(18)29-15-20)32-23-11-12-25-19(14-23)16-30-31(25)22-9-7-21(27)8-10-22/h3-17,26,28H,1-2H3/t17?,26-/m0/s1
InChIKeyCYRQVBAOFRLZDE-KKFPZRRJSA-N
XLogP5.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine 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 (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine?
The IUPAC name of (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine (CID 71095211) is (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine.
What is the SMILES notation for (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine?
The canonical SMILES for (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine is CNC(C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cnc2ccccc2c1.
What is the InChIKey of (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine?
The InChIKey is CYRQVBAOFRLZDE-KKFPZRRJSA-N. The full InChI is InChI=1S/C26H23FN4O/c1-17(28-2)26(20-13-18-5-3-4-6-24(18)29-15-20)32-23-11-12-25-19(14-23)16-30-31(25)22-9-7-21(27)8-10-22/h3-17,26,28H,1-2H3/t17?,26-/m0/s1.
What are the key properties of (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine?
(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine has a molecular weight of 426.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-N-methyl-1-quinolin-3-ylpropan-2-amine is sourced from PubChem (CID 71095211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).