(1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C22H23F4N5O — CID 162439673

IUPAC(1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(C(F)(F)F)ncc4F)cc3n2)CC1
InChIInChI=1S/C22H23F4N5O/c1-21(32,14-5-7-31(2)8-6-14)18-4-3-13-11-28-20(10-16(13)29-18)30-17-9-19(22(24,25)26)27-12-15(17)23/h3-4,9-12,14,32H,5-8H2,1-2H3,(H,27,28,30)/t21-/m1/s1
InChIKeyGHNYLVIESIGHDJ-OAQYLSRUSA-N
MW449.45 g/mol
LogP4.48
Rot. Bonds4

About (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 162439673) has the molecular formula C22H23F4N5O and a molecular weight of 449.45 g/mol. Its IUPAC name is (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID162439673
Molecular FormulaC22H23F4N5O
Molecular Weight449.45 g/mol
Exact Mass449.18
IUPAC Name(1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(C(F)(F)F)ncc4F)cc3n2)CC1
InChIInChI=1S/C22H23F4N5O/c1-21(32,14-5-7-31(2)8-6-14)18-4-3-13-11-28-20(10-16(13)29-18)30-17-9-19(22(24,25)26)27-12-15(17)23/h3-4,9-12,14,32H,5-8H2,1-2H3,(H,27,28,30)/t21-/m1/s1
InChIKeyGHNYLVIESIGHDJ-OAQYLSRUSA-N
XLogP4.48
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)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 (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 162439673) is (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(C(F)(F)F)ncc4F)cc3n2)CC1.
What is the InChIKey of (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is GHNYLVIESIGHDJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23F4N5O/c1-21(32,14-5-7-31(2)8-6-14)18-4-3-13-11-28-20(10-16(13)29-18)30-17-9-19(22(24,25)26)27-12-15(17)23/h3-4,9-12,14,32H,5-8H2,1-2H3,(H,27,28,30)/t21-/m1/s1.
What are the key properties of (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 449.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 162439673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).