[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol

C23H24F4N4O — CID 151636910

IUPAC[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
SMILESCc1ccc(F)cc1-c1nc(N2CC=CC=C2N2CCN[C@H](CO)C2)ccc1C(F)(F)F
InChIInChI=1S/C23H24F4N4O/c1-15-5-6-16(24)12-18(15)22-19(23(25,26)27)7-8-20(29-22)31-10-3-2-4-21(31)30-11-9-28-17(13-30)14-32/h2-8,12,17,28,32H,9-11,13-14H2,1H3/t17-/m0/s1
InChIKeyQRRVBKAMJJHGGT-KRWDZBQOSA-N
MW448.46 g/mol
LogP3.70
Rot. Bonds4

About [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol

[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol (PubChem CID 151636910) has the molecular formula C23H24F4N4O and a molecular weight of 448.46 g/mol. Its IUPAC name is [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
PubChem CID151636910
Molecular FormulaC23H24F4N4O
Molecular Weight448.46 g/mol
Exact Mass448.19
IUPAC Name[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol
SMILESCc1ccc(F)cc1-c1nc(N2CC=CC=C2N2CCN[C@H](CO)C2)ccc1C(F)(F)F
InChIInChI=1S/C23H24F4N4O/c1-15-5-6-16(24)12-18(15)22-19(23(25,26)27)7-8-20(29-22)31-10-3-2-4-21(31)30-11-9-28-17(13-30)14-32/h2-8,12,17,28,32H,9-11,13-14H2,1H3/t17-/m0/s1
InChIKeyQRRVBKAMJJHGGT-KRWDZBQOSA-N
XLogP3.70
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-2-ylamino]-ethanol
CID 9835485
2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyridin-4-ylamino]-ethanol
CID 9921863
2,2,2-trifluoroacetic acid;(3R,4R)-1-[6-(trifluoromethyl)-2-pyridinyl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 49797227
N-(4,6-dimethylpyridin-2-yl)-3-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide
CID 134429275
(2R)-2-[[3-fluoro-6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312350
(2R)-2-[[3-fluoro-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312363
(2R)-2-[[3-fluoro-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312395
(2R)-2-[[3-fluoro-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312436
(2R)-2-[[3-fluoro-6-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312530
(2R)-2-[[3-fluoro-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312546
(2R)-2-[[3-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312620
(2R)-2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312624

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?
The IUPAC name of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol (CID 151636910) is [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol is Cc1ccc(F)cc1-c1nc(N2CC=CC=C2N2CCN[C@H](CO)C2)ccc1C(F)(F)F.
What is the InChIKey of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?
The InChIKey is QRRVBKAMJJHGGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24F4N4O/c1-15-5-6-16(24)12-18(15)22-19(23(25,26)27)7-8-20(29-22)31-10-3-2-4-21(31)30-11-9-28-17(13-30)14-32/h2-8,12,17,28,32H,9-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol?
[(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol has a molecular weight of 448.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[1-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]piperazin-2-yl]methanol is sourced from PubChem (CID 151636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).