(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol

C20H23FN4O2 — CID 162631059

IUPAC(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol
SMILESOC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccn3ncnc3c2)CC[C@@H]1O
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-15(2-4-17)10-20(13-26)12-24(7-6-18(20)27)11-16-5-8-25-19(9-16)22-14-23-25/h1-5,8-9,14,18,26-27H,6-7,10-13H2/t18-,20-/m0/s1
InChIKeyXTRFNMIWRLBTOH-ICSRJNTNSA-N
MW370.43 g/mol
LogP1.66
Rot. Bonds5

About (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol

(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol (PubChem CID 162631059) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol
PubChem CID162631059
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol
SMILESOC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccn3ncnc3c2)CC[C@@H]1O
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-15(2-4-17)10-20(13-26)12-24(7-6-18(20)27)11-16-5-8-25-19(9-16)22-14-23-25/h1-5,8-9,14,18,26-27H,6-7,10-13H2/t18-,20-/m0/s1
InChIKeyXTRFNMIWRLBTOH-ICSRJNTNSA-N
XLogP1.66
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 155509328
7-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 163311933
(4,6-dimethylpyrimidin-5-yl)-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 155504478
7-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 166265298
(3R,4S)-3-benzyl-3-(hydroxymethyl)-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 134700571
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 164689332
N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 162632987
(3R,4S)-1-(1-benzothiophen-3-ylmethyl)-3-benzyl-3-(hydroxymethyl)piperidin-4-ol
CID 134696635
1-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155506833
3-[3-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 155498935
(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-ol
CID 155495861
pyridin-3-yl-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanol
CID 157013482

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol (CID 162631059) is (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol is OC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccn3ncnc3c2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol?
The InChIKey is XTRFNMIWRLBTOH-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-3-1-15(2-4-17)10-20(13-26)12-24(7-6-18(20)27)11-16-5-8-25-19(9-16)22-14-23-25/h1-5,8-9,14,18,26-27H,6-7,10-13H2/t18-,20-/m0/s1.
What are the key properties of (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol?
(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol has a molecular weight of 370.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 162631059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).