(3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol

C17H19F4N3O — CID 68312564

IUPAC(3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methylamino]pentan-2-ol
SMILESCC[C@H](C(C)O)NCC1=C(C=CC(=N1)C2=CN=C(C=C2)C(F)(F)F)F
InChIInChI=1S/C17H19F4N3O/c1-3-13(10(2)25)22-9-15-12(18)5-6-14(24-15)11-4-7-16(23-8-11)17(19,20)21/h4-8,10,13,22,25H,3,9H2,1-2H3/t10?,13-/m1/s1
InChIKeyOLJXCSWLXLONEA-JLOHTSLTSA-N
MW357.35 g/mol
LogP2.60
Rot. Bonds6

About (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol

(3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol (PubChem CID 68312564) has the molecular formula C17H19F4N3O and a molecular weight of 357.35 g/mol. Its IUPAC name is (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name(3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol
PubChem CID68312564
Molecular FormulaC17H19F4N3O
Molecular Weight357.35 g/mol
Exact Mass357.15
IUPAC Name(3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methylamino]pentan-2-ol
SMILESCC[C@H](C(C)O)NCC1=C(C=CC(=N1)C2=CN=C(C=C2)C(F)(F)F)F
InChIInChI=1S/C17H19F4N3O/c1-3-13(10(2)25)22-9-15-12(18)5-6-14(24-15)11-4-7-16(23-8-11)17(19,20)21/h4-8,10,13,22,25H,3,9H2,1-2H3/t10?,13-/m1/s1
InChIKeyOLJXCSWLXLONEA-JLOHTSLTSA-N
XLogP2.60
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity410

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(S)-2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butane-1,3-diol
CID 44404323
(S,R)-3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butan-2-ol
CID 44404338
(R,S)-3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butan-2-ol
CID 44404339
(R)-5-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-ylmethyl}-pyrrolidin-3-ol
CID 44404344
(S)-1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propan-2-ol
CID 44404351
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butan-2-ol
CID 44404355
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-pentan-2-ol
CID 44404356
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-hexan-2-ol
CID 44404363
(3R,5S)-1-ethyl-5-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 44453305
(3R,5S)-5-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]-1-methylpyrrolidin-3-ol
CID 44453341
(3R,5S)-5-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 44453378
N-((2S,3R)-4-(1-(4-tert-butylpyridin-2-yl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52941347

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol?
The IUPAC name of (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol (CID 68312564) is (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methylamino]pentan-2-ol.
What is the SMILES notation for (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol?
The canonical SMILES for (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol is CC[C@H](C(C)O)NCC1=C(C=CC(=N1)C2=CN=C(C=C2)C(F)(F)F)F.
What is the InChIKey of (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol?
The InChIKey is OLJXCSWLXLONEA-JLOHTSLTSA-N. The full InChI is InChI=1S/C17H19F4N3O/c1-3-13(10(2)25)22-9-15-12(18)5-6-14(24-15)11-4-7-16(23-8-11)17(19,20)21/h4-8,10,13,22,25H,3,9H2,1-2H3/t10?,13-/m1/s1.
What are the key properties of (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol?
(3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol has a molecular weight of 357.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]pentan-2-ol is sourced from PubChem (CID 68312564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).