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

C18H15F3N4O2 — CID 169259651

IUPAC(3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)11-3-1-10(2-4-11)12-7-24-17(16-15(12)22-5-6-23-16)25-13-8-27-9-14(13)26/h1-7,13-14,26H,8-9H2,(H,24,25)/t13-,14-/m0/s1
InChIKeyUUUOLOHUGPWLRL-KBPBESRZSA-N
MW376.34 g/mol
LogP2.88
Rot. Bonds3

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

(3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol (PubChem CID 169259651) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol
PubChem CID169259651
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name(3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)11-3-1-10(2-4-11)12-7-24-17(16-15(12)22-5-6-23-16)25-13-8-27-9-14(13)26/h1-7,13-14,26H,8-9H2,(H,24,25)/t13-,14-/m0/s1
InChIKeyUUUOLOHUGPWLRL-KBPBESRZSA-N
XLogP2.88
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol (CID 169259651) is (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol is O[C@H]1COC[C@@H]1Nc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12.
What is the InChIKey of (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol?
The InChIKey is UUUOLOHUGPWLRL-KBPBESRZSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)11-3-1-10(2-4-11)12-7-24-17(16-15(12)22-5-6-23-16)25-13-8-27-9-14(13)26/h1-7,13-14,26H,8-9H2,(H,24,25)/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol?
(3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol has a molecular weight of 376.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]oxolan-3-ol is sourced from PubChem (CID 169259651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).