[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol

C19H20F3N7O2 — CID 134503529

IUPAC[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol
SMILESC[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(O)c1cccnc1-n1nccn1
InChIInChI=1S/C19H20F3N7O2/c1-12-14(31-16-11-24-15(10-25-16)19(20,21)22)5-3-9-28(12)18(30)13-4-2-6-23-17(13)29-26-7-8-27-29/h2,4,6-8,10-12,14,18,30H,3,5,9H2,1H3/t12-,14+,18?/m0/s1
InChIKeyOHRSIDBUMOTHCA-CKZVMRIZSA-N
MW435.41 g/mol
LogP2.39
Rot. Bonds5

About [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol

[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol (PubChem CID 134503529) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol
PubChem CID134503529
Molecular FormulaC19H20F3N7O2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC Name[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol
SMILESC[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(O)c1cccnc1-n1nccn1
InChIInChI=1S/C19H20F3N7O2/c1-12-14(31-16-11-24-15(10-25-16)19(20,21)22)5-3-9-28(12)18(30)13-4-2-6-23-17(13)29-26-7-8-27-29/h2,4,6-8,10-12,14,18,30H,3,5,9H2,1H3/t12-,14+,18?/m0/s1
InChIKeyOHRSIDBUMOTHCA-CKZVMRIZSA-N
XLogP2.39
TPSA102.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol (CID 134503529) is [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol is C[C@H]1[C@H](Oc2cnc(C(F)(F)F)cn2)CCCN1C(O)c1cccnc1-n1nccn1.
What is the InChIKey of [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol?
The InChIKey is OHRSIDBUMOTHCA-CKZVMRIZSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-12-14(31-16-11-24-15(10-25-16)19(20,21)22)5-3-9-28(12)18(30)13-4-2-6-23-17(13)29-26-7-8-27-29/h2,4,6-8,10-12,14,18,30H,3,5,9H2,1H3/t12-,14+,18?/m0/s1.
What are the key properties of [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol?
[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol has a molecular weight of 435.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 134503529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).