(3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol

C19H17F3N4O2 — CID 169259648

IUPAC(3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol
SMILESO[C@@H]1CCOC[C@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)12-3-1-11(2-4-12)13-9-25-18(17-16(13)23-6-7-24-17)26-14-10-28-8-5-15(14)27/h1-4,6-7,9,14-15,27H,5,8,10H2,(H,25,26)/t14-,15-/m1/s1
InChIKeyFEQDWJIBJPSGKC-HUUCEWRRSA-N
MW390.37 g/mol
LogP3.27
Rot. Bonds3

About (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol

(3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol (PubChem CID 169259648) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol
PubChem CID169259648
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name(3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol
SMILESO[C@@H]1CCOC[C@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)12-3-1-11(2-4-12)13-9-25-18(17-16(13)23-6-7-24-17)26-14-10-28-8-5-15(14)27/h1-4,6-7,9,14-15,27H,5,8,10H2,(H,25,26)/t14-,15-/m1/s1
InChIKeyFEQDWJIBJPSGKC-HUUCEWRRSA-N
XLogP3.27
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol?
The IUPAC name of (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol (CID 169259648) is (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol.
What is the SMILES notation for (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol?
The canonical SMILES for (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol is O[C@@H]1CCOC[C@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12.
What is the InChIKey of (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol?
The InChIKey is FEQDWJIBJPSGKC-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)12-3-1-11(2-4-12)13-9-25-18(17-16(13)23-6-7-24-17)26-14-10-28-8-5-15(14)27/h1-4,6-7,9,14-15,27H,5,8,10H2,(H,25,26)/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol?
(3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol has a molecular weight of 390.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxan-4-ol is sourced from PubChem (CID 169259648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).